Knowledge distillation (KD), best known as an effective method for model compression, aims at transferring the knowledge of a bigger network (teacher) to a much smaller network (student). Conventional KD methods usually employ the teacher model trained in a supervised manner, where output labels are treated only as targets. Extending this supervised scheme further, we introduce a new type of teacher model for connectionist temporal classification (CTC)-based sequence models, namely Oracle Teacher, that leverages both the source inputs and the output labels as the teacher model's input. Since the Oracle Teacher learns a more accurate CTC alignment by referring to the target information, it can provide the student with more optimal guidance. One potential risk for the proposed approach is a trivial solution that the model's output directly copies the target input. Based on a many-to-one mapping property of the CTC algorithm, we present a training strategy that can effectively prevent the trivial solution and thus enables utilizing both source and target inputs for model training. Extensive experiments are conducted on two sequence learning tasks: speech recognition and scene text recognition. From the experimental results, we empirically show that the proposed model improves the students across these tasks while achieving a considerable speed-up in the teacher model's training time.  ( 3 min )

Elimination algorithms for bandit identification, which prune the plausible correct answers sequentially until only one remains, are computationally convenient since they reduce the problem size over time. However, existing elimination strategies are often not fully adaptive (they update their sampling rule infrequently) and are not easy to extend to combinatorial settings, where the set of answers is exponentially large in the problem dimension. On the other hand, most existing fully-adaptive strategies to tackle general identification problems are computationally demanding since they repeatedly test the correctness of every answer, without ever reducing the problem size. We show that adaptive methods can be modified to use elimination in both their stopping and sampling rules, hence obtaining the best of these two worlds: the algorithms (1) remain fully adaptive, (2) suffer a sample complexity that is never worse of their non-elimination counterpart, and (3) provably eliminate certain wrong answers early. We confirm these benefits experimentally, where elimination improves significantly the computational complexity of adaptive methods on common tasks like best-arm identification in linear bandits.  ( 2 min )

Model compression by way of parameter pruning, quantization, or distillation has recently gained popularity as an approach for reducing the computational requirements of modern deep neural network models for NLP. Inspired by prior works suggesting a connection between simpler, more generalizable models and those that lie within wider loss basins, we hypothesize that optimizing for flat minima should lead to simpler parameterizations and thus more compressible models. We propose to combine sharpness-aware minimization (SAM) with various task-specific model compression methods, including iterative magnitude pruning (IMP), structured pruning with a distillation objective, and post-training dynamic quantization. Empirically, we show that optimizing for flatter minima consistently leads to greater compressibility of parameters compared to vanilla Adam when fine-tuning BERT models, with little to no loss in accuracy on the GLUE text classification and SQuAD question answering benchmarks. Moreover, SAM finds superior winning tickets during IMP that 1) are amenable to vanilla Adam optimization, and 2) transfer more effectively across tasks.  ( 2 min )

In probably approximately correct (PAC) reinforcement learning (RL), an agent is required to identify an $\epsilon$-optimal policy with probability $1-\delta$. While minimax optimal algorithms exist for this problem, its instance-dependent complexity remains elusive in episodic Markov decision processes (MDPs). In this paper, we propose the first nearly matching (up to a horizon squared factor and logarithmic terms) upper and lower bounds on the sample complexity of PAC RL in deterministic episodic MDPs with finite state and action spaces. In particular, our bounds feature a new notion of sub-optimality gap for state-action pairs that we call the deterministic return gap. While our instance-dependent lower bound is written as a linear program, our algorithms are very simple and do not require solving such an optimization problem during learning. Their design and analyses employ novel ideas, including graph-theoretical concepts (minimum flows) and a new maximum-coverage exploration strategy.  ( 2 min )

Conditional inference on arbitrary subsets of variables is a core problem in probabilistic inference with important applications such as masked language modeling and image inpainting. In recent years, the family of Any-Order Autoregressive Models (AO-ARMs) -- closely related to popular models such as BERT and XLNet -- has shown breakthrough performance in arbitrary conditional tasks across a sweeping range of domains. But, in spite of their success, in this paper we identify significant improvements to be made to previous formulations of AO-ARMs. First, we show that AO-ARMs suffer from redundancy in their probabilistic model, i.e., they define the same distribution in multiple different ways. We alleviate this redundancy by training on a smaller set of univariate conditionals that still maintains support for efficient arbitrary conditional inference. Second, we upweight the training loss for univariate conditionals that are evaluated more frequently during inference. Our method leads to improved performance with no compromises on tractability, giving state-of-the-art likelihoods in arbitrary conditional modeling on text (Text8), image (CIFAR10, ImageNet32), and continuous tabular data domains.  ( 2 min )

Despite the success of large pre-trained language models (LMs) such as Codex, they show below-par performance on the larger and more complicated programming related questions. We show that LMs benefit from the summarized version of complicated questions. Our findings show that superfluous information often present in problem description such as human characters, background stories, and names (which are included to help humans in understanding a task) does not help models in understanding a task. To this extent, we create a meta-dataset from the frequently used APPS dataset and the newly created CodeContests dataset for the program synthesis task. Our meta-dataset consists of human and synthesized summaries of the long and complicated programming questions. Experimental results on Codex show that our proposed approach outperforms baseline by 8.13% on the APPS dataset and 11.88% on the CodeContests dataset on average in terms of strict accuracy. Our analysis shows that summaries significantly improve performance for introductory (9.86%) and interview (11.48%) programming questions. However, it shows improvement by a small margin (~ 2%) for competitive programming questions, implying scope for future research in this direction.  ( 2 min )

Dimensionality reduction techniques aim at representing high-dimensional data in low-dimensional spaces to extract hidden and useful information or facilitate visual understanding and interpretation of the data. However, few of them take into consideration the potential cluster information contained implicitly in the high-dimensional data. In this paper, we propose LaptSNE, a new graph-layout nonlinear dimensionality reduction method based on t-SNE, one of the best techniques for visualizing high-dimensional data as 2D scatter plots. Specifically, LaptSNE leverages the eigenvalue information of the graph Laplacian to shrink the potential clusters in the low-dimensional embedding when learning to preserve the local and global structure from high-dimensional space to low-dimensional space. It is nontrivial to solve the proposed model because the eigenvalues of normalized symmetric Laplacian are functions of the decision variable. We provide a majorization-minimization algorithm with convergence guarantee to solve the optimization problem of LaptSNE and show how to calculate the gradient analytically, which may be of broad interest when considering optimization with Laplacian-composited objective. We evaluate our method by a formal comparison with state-of-the-art methods on seven benchmark datasets, both visually and via established quantitative measurements. The results demonstrate the superiority of our method over baselines such as t-SNE and UMAP. We also provide out-of-sample extension, large-scale extension and mini-batch extension for our LaptSNE to facilitate dimensionality reduction in various scenarios.  ( 2 min )

In this paper, we propose a Classification Confidence Network (CLCNet) that can determine whether the classification model classifies input samples correctly. It can take a classification result in the form of vector in any dimension, and return a confidence score as output, which represents the probability of an instance being classified correctly. We can utilize CLCNet in a simple cascade structure system consisting of several SOTA (state-of-the-art) classification models, and our experiments show that the system can achieve the following advantages: 1. The system can customize the average computation requirement (FLOPs) per image while inference. 2. Under the same computation requirement, the performance of the system can exceed any model that has identical structure with the model in the system, but different in size. In fact, this is a new type of ensemble modeling. Like general ensemble modeling, it can achieve higher performance than single classification model, yet our system requires much less computation than general ensemble modeling. We have uploaded our code to a github repository: https://github.com/yaoching0/CLCNet-Rethinking-of-Ensemble-Modeling.  ( 2 min )

Maximizing the separation between classes constitutes a well-known inductive bias in machine learning and a pillar of many traditional algorithms. By default, deep networks are not equipped with this inductive bias and therefore many alternative solutions have been proposed through differential optimization. Current approaches tend to optimize classification and separation jointly: aligning inputs with class vectors and separating class vectors angularly. This paper proposes a simple alternative: encoding maximum separation as an inductive bias in the network by adding one fixed matrix multiplication before computing the softmax activations. The main observation behind our approach is that separation does not require optimization but can be solved in closed-form prior to training and plugged into a network. We outline a recursive approach to obtain the matrix consisting of maximally separable vectors for any number of classes, which can be added with negligible engineering effort and computational overhead. Despite its simple nature, this one matrix multiplication provides real impact. We show that our proposal directly boosts classification, long-tailed recognition, out-of-distribution detection, and open-set recognition, from CIFAR to ImageNet. We find empirically that maximum separation works best as a fixed bias; making the matrix learnable adds nothing to the performance. The closed-form implementation and code to reproduce the experiments are available on github.  ( 2 min )

Federated learning (FL) enables collaborative model training without centralizing data. However, the traditional FL framework is cloud-based and suffers from high communication latency. On the other hand, the edge-based FL framework that relies on an edge server co-located with mobile base station for model aggregation has low communication latency but suffers from degraded model accuracy due to the limited coverage of edge server. In light of high accuracy but high-latency cloud-based FL and low-latency but low-accuracy edge-based FL, this paper proposes a new FL framework based on cooperative mobile edge networking called cooperative federated edge learning (CFEL) to enable both high-accuracy and low-latency distributed intelligence at mobile edge networks. Considering the unique two-tier network architecture of CFEL, a novel federated optimization method dubbed cooperative edge-based federated averaging (CE-FedAvg) is further developed, wherein each edge server both coordinates collaborative model training among the devices within its own coverage and cooperates with other edge servers to learn a shared global model through decentralized consensus. Experimental results based on benchmark datasets show that CFEL can largely reduce the training time to achieve a target model accuracy compared with prior FL frameworks.  ( 2 min )

Despite the non-convex optimization landscape, over-parametrized shallow networks are able to achieve global convergence under gradient descent. The picture can be radically different for narrow networks, which tend to get stuck in badly-generalizing local minima. Here we investigate the cross-over between these two regimes in the high-dimensional setting, and in particular investigate the connection between the so-called mean-field/hydrodynamic regime and the seminal approach of Saad & Solla. Focusing on the case of Gaussian data, we study the interplay between the learning rate, the time scale, and the number of hidden units in the high-dimensional dynamics of stochastic gradient descent (SGD). Our work builds on a deterministic description of SGD in high-dimensions from statistical physics, which we extend and for which we provide rigorous convergence rates.

Despite recent explosion of interests in in-context learning, the underlying mechanism and the precise impact of the quality of demonstrations remain elusive. Intuitively, ground-truth labels should have as much impact in in-context learning (ICL) as supervised learning, but recent work reported that the input-label correspondence is significantly less important than previously thought. Intrigued by this counter-intuitive observation, we re-examine the importance of ground-truth labels in in-context learning. With the introduction of two novel metrics, namely Label-Correctness Sensitivity and Ground-truth Label Effect Ratio (GLER), we were able to conduct quantifiable analysis on the impact of ground-truth label demonstrations. Through extensive analyses, we find that the correct input-label mappings can have varying impacts on the downstream in-context learning performances, depending on the experimental configuration. Through additional studies, we identify key components, such as the verbosity of prompt templates and the language model size, as the controlling factor to achieve more noise-resilient ICL.

Model-based treatment planning for transcranial ultrasound therapy typically involves mapping the acoustic properties of the skull from an x-ray computed tomography (CT) image of the head. Here, three methods for generating pseudo-CT images from magnetic resonance (MR) images were compared as an alternative to CT. A convolutional neural network (U-Net) was trained on paired MR-CT images to generate pseudo-CT images from either T1-weighted or zero-echo time (ZTE) MR images (denoted tCT and zCT, respectively). A direct mapping from ZTE to pseudo-CT was also implemented (denoted cCT). When comparing the pseudo-CT and ground truth CT images for the test set, the mean absolute error was 133, 83, and 145 Hounsfield units (HU) across the whole head, and 398, 222, and 336 HU within the skull for the tCT, zCT, and cCT images, respectively. Ultrasound simulations were also performed using the generated pseudo-CT images and compared to simulations based on CT. An annular array transducer was used targeting the visual or motor cortex. The mean differences in the simulated focal pressure, focal position, and focal volume were 9.9%, 1.5 mm, and 15.1% for simulations based on the tCT images, 5.7%, 0.6 mm, and 5.7% for the zCT, and 6.7%, 0.9 mm, and 12.1% for the cCT. The improved results for images mapped from ZTE highlight the advantage of using imaging sequences which improve contrast of the skull bone. Overall, these results demonstrate that acoustic simulations based on MR images can give comparable accuracy to those based on CT.

Rapid development in deep learning model construction has prompted an increased need for appropriate training data. The popularity of large datasets - sometimes known as "big data" - has diverted attention from assessing their quality. Training on large datasets often requires excessive system resources and an infeasible amount of time. Furthermore, the supervised machine learning process has yet to be fully automated: for supervised learning, large datasets require more time for manually labeling samples. We propose a method of curating smaller datasets with comparable out-of-distribution model accuracy after an initial training session using an appropriate distribution of samples classified by how difficult it is for a model to learn from them.

Neural architecture search (NAS) has become increasingly popular in the deep learning community recently, mainly because it can provide an opportunity to allow interested users without rich expertise to benefit from the success of deep neural networks (DNNs). However, NAS is still laborious and time-consuming because a large number of performance estimations are required during the search process of NAS, and training DNNs is computationally intensive. To solve this major limitation of NAS, improving the computational efficiency is essential in the design of NAS. However, a systematic overview of computationally efficient NAS (CE-NAS) methods still lacks. To fill this gap, we provide a comprehensive survey of the state-of-the-art on CE-NAS by categorizing the existing work into proxy-based and surrogate-assisted NAS methods, together with a thorough discussion of their design principles and a quantitative comparison of their performances and computational complexities. The remaining challenges and open research questions are also discussed, and promising research topics in this emerging field are suggested.

Evaluation of intervention in a multi-agent system, e.g., when humans should intervene in autonomous driving systems and when a player should pass to teammates for a good shot, is challenging in various engineering and scientific fields. Estimating the individual treatment effect (ITE) using counterfactual long-term prediction is practical to evaluate such interventions. However, most of the conventional frameworks did not consider the time-varying complex structure of multi-agent relationships and covariate counterfactual prediction. This may sometimes lead to erroneous assessments of ITE and interpretation problems. Here we propose an interpretable, counterfactual recurrent network in multi-agent systems to estimate the effect of the intervention. Our model leverages graph variational recurrent neural networks and theory-based computation with domain knowledge for the ITE estimation framework based on long-term prediction of multi-agent covariates and outcomes, which can confirm under the circumstances under which the intervention is effective. On simulated models of an automated vehicle and biological agents with time-varying confounders, we show that our methods achieved lower estimation errors in counterfactual covariates and the most effective treatment timing than the baselines. Furthermore, using real basketball data, our methods performed realistic counterfactual predictions and evaluated the counterfactual passes in shot scenarios.  ( 3 min )

Using machine learning to solve combinatorial optimization (CO) problems is challenging, especially when the data is unlabeled. This work proposes an unsupervised learning framework for CO problems. Our framework follows a standard relaxation-plus-rounding approach and adopts neural networks to parameterize the relaxed solutions so that simple back-propagation can train the model end-to-end. Our key contribution is the observation that if the relaxed objective satisfies entry-wise concavity, a low optimization loss guarantees the quality of the final integral solutions. This observation significantly broadens the applicability of the previous framework inspired by Erdos' probabilistic method. In particular, this observation can guide the design of objective models in applications where the objectives are not given explicitly while requiring being modeled in prior. We evaluate our framework by solving a synthetic graph optimization problem, and two real-world applications including resource allocation in circuit design and approximate computing. Our framework largely outperforms the baselines based on na\"{i}ve relaxation, reinforcement learning, and Gumbel-softmax tricks.

Commit messages are important for software development and maintenance. Many neural network-based approaches have been proposed and shown promising results on automatic commit message generation. However, the generated commit messages could be repetitive or redundant. In this paper, we propose RACE, a new retrieval-augmented neural commit message generation method, which treats the retrieved similar commit as an exemplar and leverages it to generate an accurate commit message. As the retrieved commit message may not always accurately describe the content/intent of the current code diff, we also propose an exemplar guider, which learns the semantic similarity between the retrieved and current code diff and then guides the generation of commit message based on the similarity. We conduct extensive experiments on a large public dataset with five programming languages. Experimental results show that RACE can outperform all baselines. Furthermore, RACE can boost the performance of existing Seq2Seq models in commit message generation.  ( 2 min )

Multi-fidelity modeling and learning are important in physical simulation-related applications. It can leverage both low-fidelity and high-fidelity examples for training so as to reduce the cost of data generation while still achieving good performance. While existing approaches only model finite, discrete fidelities, in practice, the fidelity choice is often continuous and infinite, which can correspond to a continuous mesh spacing or finite element length. In this paper, we propose Infinite Fidelity Coregionalization (IFC). Given the data, our method can extract and exploit rich information within continuous, infinite fidelities to bolster the prediction accuracy. Our model can interpolate and/or extrapolate the predictions to novel fidelities, which can be even higher than the fidelities of training data. Specifically, we introduce a low-dimensional latent output as a continuous function of the fidelity and input, and multiple it with a basis matrix to predict high-dimensional solution outputs. We model the latent output as a neural Ordinary Differential Equation (ODE) to capture the complex relationships within and integrate information throughout the continuous fidelities. We then use Gaussian processes or another ODE to estimate the fidelity-varying bases. For efficient inference, we reorganize the bases as a tensor, and use a tensor-Gaussian variational posterior to develop a scalable inference algorithm for massive outputs. We show the advantage of our method in several benchmark tasks in computational physics.

Polynomial Networks (PNs) have demonstrated promising performance on face and image recognition recently. However, robustness of PNs is unclear and thus obtaining certificates becomes imperative for enabling their adoption in real-world applications. Existing verification algorithms on ReLU neural networks (NNs) based on classical branch and bound (BaB) techniques cannot be trivially applied to PN verification. In this work, we devise a new bounding method, equipped with BaB for global convergence guarantees, called Verification of Polynomial Networks or VPN for short. One key insight is that we obtain much tighter bounds than the interval bound propagation (IBP) and DeepT-Fast [Bonaert et al., 2021] baselines. This enables sound and complete PN verification with empirical validation on MNIST, CIFAR10 and STL10 datasets. We believe our method has its own interest to NN verification. The source code is publicly available at https://github.com/megaelius/PNVerification.

We study reward-free reinforcement learning (RL) under general non-linear function approximation, and establish sample efficiency and hardness results under various standard structural assumptions. On the positive side, we propose the RFOLIVE (Reward-Free OLIVE) algorithm for sample-efficient reward-free exploration under minimal structural assumptions, which covers the previously studied settings of linear MDPs (Jin et al., 2020b), linear completeness (Zanette et al., 2020b) and low-rank MDPs with unknown representation (Modi et al., 2021). Our analyses indicate that the explorability or reachability assumptions, previously made for the latter two settings, are not necessary statistically for reward-free exploration. On the negative side, we provide a statistical hardness result for both reward-free and reward-aware exploration under linear completeness assumptions when the underlying features are unknown, showing an exponential separation between low-rank and linear completeness settings.  ( 2 min )

Cross-domain few-shot meta-learning (CDFSML) addresses learning problems where knowledge needs to be transferred from several source domains into an instance-scarce target domain with an explicitly different distribution. Recently published CDFSML methods generally construct a "universal model" that combines knowledge of multiple source domains into one backbone feature extractor. This enables efficient inference but necessitates re-computation of the backbone whenever a new source domain is added. Moreover, these methods often derive their universal model from a collection of backbones -- normally one for each source domain -- where these backbones are constrained to have the same architecture as the universal model. We propose feature extractor stacking (FES), a new CDFSML method for combining information from a collection of backbones that imposes no constraints on the backbones' architecture and does not require re-computing a universal model when a backbone for a new source domain becomes available. We present the basic FES algorithm, which is inspired by the classic stacking approach to meta-learning, and also introduce two variants: convolutional FES (ConFES) and regularised FES (ReFES). Given a target-domain task, these algorithms fine-tune each backbone independently, use cross-validation to extract meta training data from the support set available for the task, and learn a simple linear meta-classifier from this data. We evaluate our FES methods on the well-known Meta-Dataset benchmark, targeting image classification with convolutional neural networks, and show that they can achieve state-of-the-art performance.

Open-Set Domain Adaptation (OSDA) assumes that a target domain contains unknown classes, which are not discovered in a source domain. Existing domain adversarial learning methods are not suitable for OSDA because distribution matching with $\textit{unknown}$ classes leads to negative transfer. Previous OSDA methods have focused on matching the source and the target distribution by only utilizing $\textit{known}$ classes. However, this $\textit{known}$-only matching may fail to learn the target-$\textit{unknown}$ feature space. Therefore, we propose Unknown-Aware Domain Adversarial Learning (UADAL), which $\textit{aligns}$ the source and the target-$\textit{known}$ distribution while simultaneously $\textit{segregating}$ the target-$\textit{unknown}$ distribution in the feature alignment procedure. We provide theoretical analyses on the optimized state of the proposed $\textit{unknown-aware}$ feature alignment, so we can guarantee both $\textit{alignment}$ and $\textit{segregation}$ theoretically. Empirically, we evaluate UADAL on the benchmark datasets, which shows that UADAL outperforms other methods with better feature alignments by reporting state-of-the-art performances.

Dataset distillation aims to learn a small synthetic dataset that preserves most of the information from the original dataset. Dataset distillation can be formulated as a bi-level meta-learning problem where the outer loop optimizes the meta-dataset and the inner loop trains a model on the distilled data. Meta-gradient computation is one of the key challenges in this formulation, as differentiating through the inner loop learning procedure introduces significant computation and memory costs. In this paper, we address these challenges using neural Feature Regression with Pooling (FRePo), achieving the state-of-the-art performance with an order of magnitude less memory requirement and two orders of magnitude faster training than previous methods. The proposed algorithm is analogous to truncated backpropagation through time with a pool of models to alleviate various types of overfitting in dataset distillation. FRePo significantly outperforms the previous methods on CIFAR100, Tiny ImageNet, and ImageNet-1K. Furthermore, we show that high-quality distilled data can greatly improve various downstream applications, such as continual learning and membership inference defense. Please check out our webpage at https://sites.google.com/view/frepo.

We establish a sharp uniform-in-time error estimate for the Stochastic Gradient Langevin Dynamics (SGLD), which is a popular sampling algorithm. Under mild assumptions, we obtain a uniform-in-time $O(\eta^2)$ bound for the KL-divergence between the SGLD iteration and the Langevin diffusion, where $\eta$ is the step size (or learning rate). Our analysis is also valid for varying step sizes. Based on this, we are able to obtain an $O(\eta)$ bound for the distance between the SGLD iteration and the invariant distribution of the Langevin diffusion, in terms of Wasserstein or total variation distances.

The SKA pulsar search pipeline will be used for real time detection of pulsars. Modern radio telescopes such as SKA will be generating petabytes of data in their full scale of operation. Hence experience-based and data-driven algorithms become indispensable for applications such as candidate detection. Here we describe our findings from testing a state of the art object detection algorithm called Mask R-CNN to detect candidate signatures in the SKA pulsar search pipeline. We have trained the Mask R-CNN model to detect candidate images. A custom annotation tool was developed to mark the regions of interest in large datasets efficiently. We have successfully demonstrated this algorithm by detecting candidate signatures on a simulation dataset. The paper presents details of this work with a highlight on the future prospects.

Recently many effective attention modules are proposed to boot the model performance by exploiting the internal information of convolutional neural networks in computer vision. In general, many previous works ignore considering the design of the pooling strategy of the attention mechanism since they adopt the global average pooling for granted, which hinders the further improvement of the performance of the attention mechanism. However, we empirically find and verify a phenomenon that the simple linear combination of global max-pooling and global min-pooling can produce pooling strategies that match or exceed the performance of global average pooling. Based on this empirical observation, we propose a simple-yet-effective attention module SPEM, which adopts a self-adaptive pooling strategy based on global max-pooling and global min-pooling and a lightweight module for producing the attention map. The effectiveness of SPEM is demonstrated by extensive experiments on widely-used benchmark datasets and popular attention networks.

Learning the principal eigenfunctions of an integral operator defined by a kernel and a data distribution is at the core of many machine learning problems. Traditional nonparametric solutions based on the Nystr{\"o}m formula suffer from scalability issues. Recent work has resorted to a parametric approach, i.e., training neural networks to approximate the eigenfunctions. However, the existing method relies on an expensive orthogonalization step and is difficult to implement. We show that these problems can be fixed by using a new series of objective functions that generalizes the EigenGame~\citep{gemp2020eigengame} to function space. We test our method on a variety of supervised and unsupervised learning problems and show it provides accurate approximations to the eigenfunctions of polynomial, radial basis, neural network Gaussian process, and neural tangent kernels. Finally, we demonstrate our method can scale up linearised Laplace approximation of deep neural networks to modern image classification datasets through approximating the Gauss-Newton matrix. Code is available at \url{https://github.com/thudzj/neuraleigenfunction}.

Bayesian optimisation (BO) algorithms have shown remarkable success in applications involving expensive black-box functions. Traditionally BO has been set as a sequential decision-making process which estimates the utility of query points via an acquisition function and a prior over functions, such as a Gaussian process. Recently, however, a reformulation of BO via density-ratio estimation (BORE) allowed reinterpreting the acquisition function as a probabilistic binary classifier, removing the need for an explicit prior over functions and increasing scalability. In this paper, we present a theoretical analysis of BORE's regret and an extension of the algorithm with improved uncertainty estimates. We also show that BORE can be naturally extended to a batch optimisation setting by recasting the problem as approximate Bayesian inference. The resulting algorithms come equipped with theoretical performance guarantees and are assessed against other batch and sequential BO baselines in a series of experiments.

We study the problem of learning generalized linear models under adversarial corruptions. We analyze a classical heuristic called the iterative trimmed maximum likelihood estimator which is known to be effective against label corruptions in practice. Under label corruptions, we prove that this simple estimator achieves minimax near-optimal risk on a wide range of generalized linear models, including Gaussian regression, Poisson regression and Binomial regression. Finally, we extend the estimator to the more challenging setting of label and covariate corruptions and demonstrate its robustness and optimality in that setting as well.  ( 2 min )

We investigate nonlinear instrumental variable (IV) regression given high-dimensional instruments. We propose a simple algorithm which combines kernelized IV methods and an arbitrary, adaptive regression algorithm, accessed as a black box. Our algorithm enjoys faster-rate convergence and adapts to the dimensionality of informative latent features, while avoiding an expensive minimax optimization procedure, which has been necessary to establish similar guarantees. It further brings the benefit of flexible machine learning models to quasi-Bayesian uncertainty quantification, likelihood-based model selection, and model averaging. Simulation studies demonstrate the competitive performance of our method.  ( 2 min )

Recent studies have shown that gradient descent (GD) can achieve improved generalization when its dynamics exhibits a chaotic behavior. However, to obtain the desired effect, the step-size should be chosen sufficiently large, a task which is problem dependent and can be difficult in practice. In this study, we incorporate a chaotic component to GD in a controlled manner, and introduce multiscale perturbed GD (MPGD), a novel optimization framework where the GD recursion is augmented with chaotic perturbations that evolve via an independent dynamical system. We analyze MPGD from three different angles: (i) By building up on recent advances in rough paths theory, we show that, under appropriate assumptions, as the step-size decreases, the MPGD recursion converges weakly to a stochastic differential equation (SDE) driven by a heavy-tailed L\'evy-stable process. (ii) By making connections to recently developed generalization bounds for heavy-tailed processes, we derive a generalization bound for the limiting SDE and relate the worst-case generalization error over the trajectories of the process to the parameters of MPGD. (iii) We analyze the implicit regularization effect brought by the dynamical regularization and show that, in the weak perturbation regime, MPGD introduces terms that penalize the Hessian of the loss function. Empirical results are provided to demonstrate the advantages of MPGD.

Electronic Health Records (EHRs) exhibit a high amount of missing data due to variations of patient conditions and treatment needs. Imputation of missing values has been considered an effective approach to deal with this challenge. Existing work separates imputation method and prediction model as two independent parts of an EHR-based machine learning system. We propose an integrated end-to-end approach by utilizing a Compound Density Network (CDNet) that allows the imputation method and prediction model to be tuned together within a single framework. CDNet consists of a Gated recurrent unit (GRU), a Mixture Density Network (MDN), and a Regularized Attention Network (RAN). The GRU is used as a latent variable model to model EHR data. The MDN is designed to sample latent variables generated by GRU. The RAN serves as a regularizer for less reliable imputed values. The architecture of CDNet enables GRU and MDN to iteratively leverage the output of each other to impute missing values, leading to a more accurate and robust prediction. We validate CDNet on the mortality prediction task on the MIMIC-III dataset. Our model outperforms state-of-the-art models by significant margins. We also empirically show that regularizing imputed values is a key factor for superior prediction performance. Analysis of prediction uncertainty shows that our model can capture both aleatoric and epistemic uncertainties, which offers model users a better understanding of the model results.

In a busy city street, a pedestrian surrounded by distractions can pick out a single sign if it is relevant to their route. Artificial agents in outdoor Vision-and-Language Navigation (VLN) are also confronted with detecting supervisory signal on environment features and location in inputs. To boost the prominence of relevant features in transformer-based architectures without costly preprocessing and pretraining, we take inspiration from priority maps - a mechanism described in neuropsychological studies. We implement a novel priority map module and pretrain on auxiliary tasks using low-sample datasets with high-level representations of routes and environment-related references to urban features. A hierarchical process of trajectory planning - with subsequent parameterised visual boost filtering on visual inputs and prediction of corresponding textual spans - addresses the core challenges of cross-modal alignment and feature-level localisation. The priority map module is integrated into a feature-location framework that doubles the task completion rates of standalone transformers and attains state-of-the-art performance on the Touchdown benchmark for VLN. Code and data are referenced in Appendix C.

Learning from demonstration methods usually leverage close to optimal demonstrations to accelerate training. By contrast, when demonstrating a task, human teachers deviate from optimal demonstrations and pedagogically modify their behavior by giving demonstrations that best disambiguate the goal they want to demonstrate. Analogously, human learners excel at pragmatically inferring the intent of the teacher, facilitating communication between the two agents. These mechanisms are critical in the few demonstrations regime, where inferring the goal is more difficult. In this paper, we implement pedagogy and pragmatism mechanisms by leveraging a Bayesian model of Goal Inference from demonstrations (BGI). We highlight the benefits of this model in multi-goal teacher-learner setups with two artificial agents that learn with goal-conditioned Reinforcement Learning. We show that combining BGI-agents (a pedagogical teacher and a pragmatic learner) results in faster learning and reduced goal ambiguity over standard learning from demonstrations, especially in the few demonstrations regime. We provide the code for our experiments (https://github.com/Caselles/NeurIPS22-demonstrations-pedagogy-pragmatism), as well as an illustrative video explaining our approach (https://youtu.be/V4n16IjkNyw).  ( 2 min )

Masked autoencoding has become a successful pretraining paradigm for Transformer models for text, images, and, recently, point clouds. Raw automotive datasets are suitable candidates for self-supervised pre-training as they generally are cheap to collect compared to annotations for tasks like 3D object detection (OD). However, the development of masked autoencoders for point clouds has focused solely on synthetic and indoor data. Consequently, existing methods have tailored their representations and models toward small and dense point clouds with homogeneous point densities.In this work, we study masked autoencoding for point clouds in an automotive setting, which are sparse and for which the point density can vary drastically among objects in the same scene. To this end, we propose Voxel-MAE, a simple masked autoencoding pre-training scheme designed for voxel representations. We pre-train the backbone of a Transformer-based 3D object detector to reconstruct masked voxels and to distinguish between empty and non-empty voxels. Our method improves the 3D OD performance by 1.75 mAP points and 1.05 NDS on the challenging nuScenes dataset. Further, we show that by pre-training with Voxel-MAE, we require only 40% of the annotated data to outperform a randomly initialized equivalent. Code available at https://github.com/georghess/voxel-mae

QA models with lifelong learning (LL) abilities are important for practical QA applications, and architecture-based LL methods are reported to be an effective implementation for these models. However, it is non-trivial to extend previous approaches to QA tasks since they either require access to task identities in the testing phase or do not explicitly model samples from unseen tasks. In this paper, we propose Diana: a dynamic architecture-based lifelong QA model that tries to learn a sequence of QA tasks with a prompt enhanced language model. Four types of hierarchically organized prompts are used in Diana to capture QA knowledge from different granularities. Specifically, we dedicate task-level prompts to capture task-specific knowledge to retain high LL performances and maintain instance-level prompts to learn knowledge shared across different input samples to improve the model's generalization performance. Moreover, we dedicate separate prompts to explicitly model unseen tasks and introduce a set of prompt key vectors to facilitate knowledge sharing between tasks. Extensive experiments demonstrate that Diana outperforms state-of-the-art lifelong QA models, especially in handling unseen tasks.

We address the problem of indoor layout synthesis, which is a topic of continuing research interest in computer graphics. The newest works made significant progress using data-driven generative methods; however, these approaches rely on suitable datasets. In practice, desirable layout properties may not exist in a dataset, for instance, specific expert knowledge can be missing in the data. We propose a method that combines expert knowledge, for example, knowledge about ergonomics, with a data-driven generator based on the popular Transformer architecture. The knowledge is given as differentiable scalar functions, which can be used both as weights or as additional terms in the loss function. Using this knowledge, the synthesized layouts can be biased to exhibit desirable properties, even if these properties are not present in the dataset. Our approach can also alleviate problems of lack of data and imperfections in the data. Our work aims to improve generative machine learning for modeling and provide novel tools for designers and amateurs for the problem of interior layout creation.

Adaptive curricula in reinforcement learning (RL) have proven effective for producing policies robust to discrepancies between the train and test environment. Recently, the Unsupervised Environment Design (UED) framework generalized RL curricula to generating sequences of entire environments, leading to new methods with robust minimax regret properties. Problematically, in partially-observable or stochastic settings, optimal policies may depend on the ground-truth distribution over aleatoric parameters of the environment in the intended deployment setting, while curriculum learning necessarily shifts the training distribution. We formalize this phenomenon as curriculum-induced covariate shift (CICS), and describe how its occurrence in aleatoric parameters can lead to suboptimal policies. Directly sampling these parameters from the ground-truth distribution avoids the issue, but thwarts curriculum learning. We propose SAMPLR, a minimax regret UED method that optimizes the ground-truth utility function, even when the underlying training data is biased due to CICS. We prove, and validate on challenging domains, that our approach preserves optimality under the ground-truth distribution, while promoting robustness across the full range of environment settings.

Quantum machine learning promises to efficiently solve important problems. There are two persistent challenges in classical machine learning: the lack of labeled data, and the limit of computational power. We propose a novel framework that resolves both issues: quantum semi-supervised learning. Moreover, we provide a protocol in systematically designing quantum machine learning algorithms with quantum supremacy, which can be extended beyond quantum semi-supervised learning. In the meantime, we show that naive quantum matrix product estimation algorithm outperforms the best known classical matrix multiplication algorithm. We showcase two concrete quantum semi-supervised learning algorithms: a quantum self-training algorithm named the propagating nearest-neighbor classifier, and the quantum semi-supervised K-means clustering algorithm. By doing time complexity analysis, we conclude that they indeed possess quantum supremacy.

Deep networks are prone to performance degradation when there is a domain shift between the source (training) data and target (test) data. Recent test-time adaptation methods update batch normalization layers of pre-trained source models deployed in new target environments with streaming data to mitigate such performance degradation. Although such methods can adapt on-the-fly without first collecting a large target domain dataset, their performance is dependent on streaming conditions such as mini-batch size and class-distribution, which can be unpredictable in practice. In this work, we propose a framework for few-shot domain adaptation to address the practical challenges of data-efficient adaptation. Specifically, we propose a constrained optimization of feature normalization statistics in pre-trained source models supervised by a small support set from the target domain. Our method is easy to implement and improves source model performance with as few as one sample per class for classification tasks. Extensive experiments on 5 cross-domain classification and 4 semantic segmentation datasets show that our method achieves more accurate and reliable performance than test-time adaptation, while not being constrained by streaming conditions.

Reconfigurable intelligent surface (RIS) can significantly enhance the service coverage of Tera-Hertz massive multiple-input multiple-output (MIMO) communication systems. However, obtaining accurate high-dimensional channel state information (CSI) with limited pilot and feedback signaling overhead is challenging, severely degrading the performance of conventional spatial division multiple access. To improve the robustness against CSI imperfection, this paper proposes a deep learning (DL)-based rate-splitting multiple access (RSMA) scheme for RIS-aided Tera-Hertz multi-user MIMO systems. Specifically, we first propose a hybrid data-model driven DL-based RSMA precoding scheme, including the passive precoding at the RIS as well as the analog active precoding and the RSMA digital active precoding at the base station (BS). To realize the passive precoding at the RIS, we propose a Transformer-based data-driven RIS reflecting network (RRN). As for the analog active precoding at the BS, we propose a match-filter based analog precoding scheme considering that the BS and RIS adopt the LoS-MIMO antenna array architecture. As for the RSMA digital active precoding at the BS, we propose a low-complexity approximate weighted minimum mean square error (AWMMSE) digital precoding scheme. Furthermore, for better precoding performance as well as lower computational complexity, a model-driven deep unfolding active precoding network (DFAPN) is also designed by combining the proposed AWMMSE scheme with DL. Then, to acquire accurate CSI at the BS for the investigated RSMA precoding scheme to achieve higher spectral efficiency, we propose a CSI acquisition network (CAN) with low pilot and feedback signaling overhead, where the downlink pilot transmission, CSI feedback at the user equipments (UEs), and CSI reconstruction at the BS are modeled as an end-to-end neural network based on Transformer.

Multi-view anchor graph clustering selects representative anchors to avoid full pair-wise similarities and therefore reduce the complexity of graph methods. Although widely applied in large-scale applications, existing approaches do not pay sufficient attention to establishing correct correspondences between the anchor sets across views. To be specific, anchor graphs obtained from different views are not aligned column-wisely. Such an \textbf{A}nchor-\textbf{U}naligned \textbf{P}roblem (AUP) would cause inaccurate graph fusion and degrade the clustering performance. Under multi-view scenarios, generating correct correspondences could be extremely difficult since anchors are not consistent in feature dimensions. To solve this challenging issue, we propose the first study of the generalized and flexible anchor graph fusion framework termed \textbf{F}ast \textbf{M}ulti-\textbf{V}iew \textbf{A}nchor-\textbf{C}orrespondence \textbf{C}lustering (FMVACC). Specifically, we show how to find anchor correspondence with both feature and structure information, after which anchor graph fusion is performed column-wisely. Moreover, we theoretically show the connection between FMVACC and existing multi-view late fusion \cite{liu2018late} and partial view-aligned clustering \cite{huang2020partially}, which further demonstrates our generality. Extensive experiments on seven benchmark datasets demonstrate the effectiveness and efficiency of our proposed method. Moreover, the proposed alignment module also shows significant performance improvement applying to existing multi-view anchor graph competitors indicating the importance of anchor alignment. Our code is available at \url{https://github.com/wangsiwei2010/NeurIPS22-FMVACC}.

When sampling for Bayesian inference, one popular approach is to use Hamiltonian Monte Carlo (HMC) and specifically the No-U-Turn Sampler (NUTS) which automatically decides the end time of the Hamiltonian trajectory. However, HMC and NUTS can require numerous numerical gradients of the target density, and can prove slow in practice. We propose Hamiltonian neural networks (HNNs) with HMC and NUTS for solving Bayesian inference problems. Once trained, HNNs do not require numerical gradients of the target density during sampling. Moreover, they satisfy important properties such as perfect time reversibility and Hamiltonian conservation, making them well-suited for use within HMC and NUTS because stationarity can be shown. We also propose an HNN extension called latent HNNs (L-HNNs), which are capable of predicting latent variable outputs. Compared to HNNs, L-HNNs offer improved expressivity and reduced integration errors. Finally, we employ L-HNNs in NUTS with an online error monitoring scheme to prevent sample degeneracy in regions of low probability density. We demonstrate L-HNNs in NUTS with online error monitoring on several examples involving complex, heavy-tailed, and high-local-curvature probability densities. Overall, L-HNNs in NUTS with online error monitoring satisfactorily inferred these probability densities. Compared to traditional NUTS, L-HNNs in NUTS with online error monitoring required 1--2 orders of magnitude fewer numerical gradients of the target density and improved the effective sample size (ESS) per gradient by an order of magnitude.

The Generative Adversarial Network (GAN) is a powerful and flexible tool that can generate high-fidelity synthesized data by learning. It has seen many applications in simulating events in High Energy Physics (HEP), including simulating detector responses and physics events. However, training GANs is notoriously hard and optimizing their hyperparameters even more so. It normally requires many trial-and-error training attempts to force a stable training and reach a reasonable fidelity. Significant tuning work has to be done to achieve the accuracy required by physics analyses. This work uses the physics-agnostic and high-performance-computer-friendly hyperparameter optimization tool HYPPO to optimize and examine the sensitivities of the hyperparameters of a GAN for two independent HEP datasets. This work provides the first insights into efficiently tuning GANs for Large Hadron Collider data. We show that given proper hyperparameter tuning, we can find GANs that provide high-quality approximations of the desired quantities. We also provide guidelines for how to go about GAN architecture tuning using the analysis tools in HYPPO.

In the scope of drug discovery, the molecular design aims to identify novel compounds from the chemical space where the potential drug-like molecules are estimated to be in the order of 10^60 - 10^100. Since this search task is computationally intractable due to the unbounded search space, deep learning draws a lot of attention as a new way of generating unseen molecules. As we seek compounds with specific target proteins, we propose a Transformer-based deep model for de novo target-specific molecular design. The proposed method is capable of generating both drug-like compounds (without specified targets) and target-specific compounds. The latter are generated by enforcing different keys and values of the multi-head attention for each target. In this way, we allow the generation of SMILES strings to be conditional on the specified target. Experimental results demonstrate that our method is capable of generating both valid drug-like compounds and target-specific compounds. Moreover, the sampled compounds from conditional model largely occupy the real target-specific molecules' chemical space and also cover a significant fraction of novel compounds.

The two-sided markets such as ride-sharing companies often involve a group of subjects who are making sequential decisions across time and/or location. With the rapid development of smart phones and internet of things, they have substantially transformed the transportation landscape of human beings. In this paper we consider large-scale fleet management in ride-sharing companies that involve multiple units in different areas receiving sequences of products (or treatments) over time. Major technical challenges, such as policy evaluation, arise in those studies because (i) spatial and temporal proximities induce interference between locations and times; and (ii) the large number of locations results in the curse of dimensionality. To address both challenges simultaneously, we introduce a multi-agent reinforcement learning (MARL) framework for carrying policy evaluation in these studies. We propose novel estimators for mean outcomes under different products that are consistent despite the high-dimensionality of state-action space. The proposed estimator works favorably in simulation experiments. We further illustrate our method using a real dataset obtained from a two-sided marketplace company to evaluate the effects of applying different subsidizing policies. A Python implementation of our proposed method is available at https://github.com/RunzheStat/CausalMARL.  ( 2 min )

We introduce InstaAug, a method for automatically learning input-specific augmentations from data. Previous data augmentation methods have generally assumed independence between the original input and the transformation applied to that input. This can be highly restrictive, as the invariances that the augmentations are based on are themselves often highly input dependent; e.g., we can change a leaf from green to yellow while maintaining its label, but not a lime. InstaAug instead allows for input dependency by introducing an invariance module that maps inputs to tailored transformation distributions. It can be simultaneously trained alongside the downstream model in a fully end-to-end manner, or separately learned for a pre-trained model. We empirically demonstrate that InstaAug learns meaningful input-dependent augmentations for a wide range of transformation classes, which in turn provides better performance on both supervised and self-supervised tasks.

Information-theoretic Bayesian optimization techniques have become popular for optimizing expensive-to-evaluate black-box functions due to their non-myopic qualities. Entropy Search and Predictive Entropy Search both consider the entropy over the optimum in the input space, while the recent Max-value Entropy Search considers the entropy over the optimal value in the output space. We propose Joint Entropy Search (JES), a novel information-theoretic acquisition function that considers an entirely new quantity, namely the entropy over the joint optimal probability density over both input and output space. To incorporate this information, we consider the reduction in entropy from conditioning on fantasized optimal input/output pairs. The resulting approach primarily relies on standard GP machinery and removes complex approximations typically associated with information-theoretic methods. With minimal computational overhead, JES shows superior decision-making, and yields state-of-the-art performance for information-theoretic approaches across a wide suite of tasks. As a light-weight approach with superior results, JES provides a new go-to acquisition function for Bayesian optimization.

A central question in computational neuroscience is how structure determines function in neural networks. The emerging high-quality large-scale connectomic datasets raise the question of what general functional principles can be gleaned from structural information such as the distribution of excitatory/inhibitory synapse types and the distribution of synaptic weights. Motivated by this question, we developed a statistical mechanical theory of learning in neural networks that incorporates structural information as constraints. We derived an analytical solution for the memory capacity of the perceptron, a basic feedforward model of supervised learning, with constraint on the distribution of its weights. Our theory predicts that the reduction in capacity due to the constrained weight-distribution is related to the Wasserstein distance between the imposed distribution and that of the standard normal distribution. To test the theoretical predictions, we use optimal transport theory and information geometry to develop an SGD-based algorithm to find weights that simultaneously learn the input-output task and satisfy the distribution constraint. We show that training in our algorithm can be interpreted as geodesic flows in the Wasserstein space of probability distributions. We further developed a statistical mechanical theory for teacher-student perceptron rule learning and ask for the best way for the student to incorporate prior knowledge of the rule. Our theory shows that it is beneficial for the learner to adopt different prior weight distributions during learning, and shows that distribution-constrained learning outperforms unconstrained and sign-constrained learning. Our theory and algorithm provide novel strategies for incorporating prior knowledge about weights into learning, and reveal a powerful connection between structure and function in neural networks.

Visualizing the uncertainty of ensemble simulations is challenging due to the large size and multivariate and temporal features of ensemble data sets. One popular approach to studying the uncertainty of ensembles is analyzing the positional uncertainty of the level sets. Probabilistic marching cubes is a technique that performs Monte Carlo sampling of multivariate Gaussian noise distributions for positional uncertainty visualization of level sets. However, the technique suffers from high computational time, making interactive visualization and analysis impossible to achieve. This paper introduces a deep-learning-based approach to learning the level-set uncertainty for two-dimensional ensemble data with a multivariate Gaussian noise assumption. We train the model using the first few time steps from time-varying ensemble data in our workflow. We demonstrate that our trained model accurately infers uncertainty in level sets for new time steps and is up to 170X faster than that of the original probabilistic model with serial computation and 10X faster than that of the original parallel computation.  ( 2 min )

We consider imitation learning problems where the learner's ability to mimic the expert increases throughout the course of an episode as more information is revealed. One example of this is when the expert has access to privileged information: while the learner might not be able to accurately reproduce expert behavior early on in an episode, by considering the entire history of states and actions, they might be able to eventually identify the hidden context and act as the expert would. We prove that on-policy imitation learning algorithms (with or without access to a queryable expert) are better equipped to handle these sorts of asymptotically realizable problems than off-policy methods. This is because on-policy algorithms provably learn to recover from their initially suboptimal actions, while off-policy methods treat their suboptimal past actions as though they came from the expert. This often manifests as a latching behavior: a naive repetition of past actions. We conduct experiments in a toy bandit domain that show that there exist sharp phase transitions of whether off-policy approaches are able to match expert performance asymptotically, in contrast to the uniformly good performance of on-policy approaches. We demonstrate that on several continuous control tasks, on-policy approaches are able to use history to identify the context while off-policy approaches actually perform worse when given access to history.  ( 2 min )

Modern machine learning architectures are often highly expressive. They are usually over-parameterized and can interpolate the data by driving the empirical loss close to zero. We analyze the convergence of Local SGD (or FedAvg) for such over-parameterized models in the heterogeneous data setting and improve upon the existing literature by establishing the following convergence rates. We show an error bound of $\O(\exp(-T))$ for strongly-convex loss functions, where $T$ is the total number of iterations. For general convex loss functions, we establish an error bound of $\O(1/T)$ under a mild data similarity assumption and an error bound of $\O(K/T)$ otherwise, where $K$ is the number of local steps. We also extend our results for non-convex loss functions by proving an error bound of $\O(K/T)$. Before our work, the best-known convergence rate for strongly-convex loss functions was $\O(\exp(-T/K))$, and none existed for general convex or non-convex loss functions under the overparameterized setting. We complete our results by providing problem instances in which such convergence rates are tight to a constant factor under a reasonably small stepsize scheme. Finally, we validate our theoretical results using numerical experiments on real and synthetic data.  ( 2 min )

We show that standard Transformers without graph-specific modifications can lead to promising results in graph learning both in theory and practice. Given a graph, we simply treat all nodes and edges as independent tokens, augment them with token embeddings, and feed them to a Transformer. With an appropriate choice of token embeddings, we prove that this approach is theoretically at least as expressive as an invariant graph network (2-IGN) composed of equivariant linear layers, which is already more expressive than all message-passing Graph Neural Networks (GNN). When trained on a large-scale graph dataset (PCQM4Mv2), our method coined Tokenized Graph Transformer (TokenGT) achieves significantly better results compared to GNN baselines and competitive results compared to Transformer variants with sophisticated graph-specific inductive bias. Our implementation is available at https://github.com/jw9730/tokengt.

More than twenty years after its introduction, Annealed Importance Sampling (AIS) remains one of the most effective methods for marginal likelihood estimation. It relies on a sequence of distributions interpolating between a tractable initial distribution and the target distribution of interest which we simulate from approximately using a non-homogeneous Markov chain. To obtain an importance sampling estimate of the marginal likelihood, AIS introduces an extended target distribution to reweight the Markov chain proposal. While much effort has been devoted to improving the proposal distribution used by AIS, an underappreciated issue is that AIS uses a convenient but suboptimal extended target distribution. We here leverage recent progress in score-based generative modeling (SGM) to approximate the optimal extended target distribution minimizing the variance of the marginal likelihood estimate for AIS proposals corresponding to the discretization of Langevin and Hamiltonian dynamics. We demonstrate these novel, differentiable, AIS procedures on a number of synthetic benchmark distributions and variational auto-encoders.

Social media platforms struggle to protect users from harmful content through content moderation. These platforms have recently leveraged machine learning models to cope with the vast amount of user-generated content daily. Since moderation policies vary depending on countries and types of products, it is common to train and deploy the models per policy. However, this approach is highly inefficient, especially when the policies change, requiring dataset re-labeling and model re-training on the shifted data distribution. To alleviate this cost inefficiency, social media platforms often employ third-party content moderation services that provide prediction scores of multiple subtasks, such as predicting the existence of underage personnel, rude gestures, or weapons, instead of directly providing final moderation decisions. However, making a reliable automated moderation decision from the prediction scores of the multiple subtasks for a specific target policy has not been widely explored yet. In this study, we formulate real-world scenarios of content moderation and introduce a simple yet effective threshold optimization method that searches the optimal thresholds of the multiple subtasks to make a reliable moderation decision in a cost-effective way. Extensive experiments demonstrate that our approach shows better performance in content moderation compared to existing threshold optimization methods and heuristics.

Neural networks have shown great potential in compressing volume data for visualization. However, due to the high cost of training and inference, such volumetric neural representations have thus far only been applied to offline data processing and non-interactive rendering. In this paper, we demonstrate that by simultaneously leveraging modern GPU tensor cores, a native CUDA neural network framework, and a well-designed rendering algorithm with macro-cell acceleration, we can interactively ray trace volumetric neural representations (10-60fps). Our neural representations are also high-fidelity (PSNR > 30dB) and compact (10-1000x smaller). Additionally, we show that it is possible to fit the entire training step inside a rendering loop and skip the pre-training process completely. To support extreme-scale volume data, we also develop an efficient out-of-core training strategy, which allows our volumetric neural representation training to potentially scale up to terascale using only an NVIDIA RTX 3090 workstation.

The matrix completion problem seeks to recover a $d\times d$ ground truth matrix of low rank $r\ll d$ from observations of its individual elements. Real-world matrix completion is often a huge-scale optimization problem, with $d$ so large that even the simplest full-dimension vector operations with $O(d)$ time complexity become prohibitively expensive. Stochastic gradient descent (SGD) is one of the few algorithms capable of solving matrix completion on a huge scale, and can also naturally handle streaming data over an evolving ground truth. Unfortunately, SGD experiences a dramatic slow-down when the underlying ground truth is ill-conditioned; it requires at least $O(\kappa\log(1/\epsilon))$ iterations to get $\epsilon$-close to ground truth matrix with condition number $\kappa$. In this paper, we propose a preconditioned version of SGD that preserves all the favorable practical qualities of SGD for huge-scale online optimization while also making it agnostic to $\kappa$. For a symmetric ground truth and the Root Mean Square Error (RMSE) loss, we prove that the preconditioned SGD converges to $\epsilon$-accuracy in $O(\log(1/\epsilon))$ iterations, with a rapid linear convergence rate as if the ground truth were perfectly conditioned with $\kappa=1$. In our experiments, we observe a similar acceleration for item-item collaborative filtering on the MovieLens25M dataset via a pair-wise ranking loss, with 100 million training pairs and 10 million testing pairs. [See supporting code at https://github.com/Hong-Ming/ScaledSGD.]

Current Graph Neural Networks (GNNs) suffer from the over-smoothing problem, which results in indistinguishable node representations and low model performance with more GNN layers. Many methods have been put forward to tackle this problem in recent years. However, existing tackling over-smoothing methods emphasize model performance and neglect the over-smoothness of node representations. Additional, different approaches are applied one at a time, while there lacks an overall framework to jointly leverage multiple solutions to the over-smoothing challenge. To solve these problems, we propose GraTO, a framework based on neural architecture search to automatically search for GNNs architecture. GraTO adopts a novel loss function to facilitate striking a balance between model performance and representation smoothness. In addition to existing methods, our search space also includes DropAttribute, a novel scheme for alleviating the over-smoothing challenge, to fully leverage diverse solutions. We conduct extensive experiments on six real-world datasets to evaluate GraTo, which demonstrates that GraTo outperforms baselines in the over-smoothing metrics and achieves competitive performance in accuracy. GraTO is especially effective and robust with increasing numbers of GNN layers. Further experiments bear out the quality of node representations learned with GraTO and the effectiveness of model architecture. We make cide of GraTo available at Github (\url{https://github.com/fxsxjtu/GraTO}).

The error-backpropagation (backprop) algorithm remains the most common solution to the credit assignment problem in artificial neural networks. In neuroscience, it is unclear whether the brain could adopt a similar strategy to correctly modify its synapses. Recent models have attempted to bridge this gap while being consistent with a range of experimental observations. However, these models are either unable to effectively backpropagate error signals across multiple layers or require a multi-phase learning process, neither of which are reminiscent of learning in the brain. Here, we introduce a new model, Bursting Cortico-Cortical Networks (BurstCCN), which solves these issues by integrating known properties of cortical networks namely bursting activity, short-term plasticity (STP) and dendrite-targeting interneurons. BurstCCN relies on burst multiplexing via connection-type-specific STP to propagate backprop-like error signals within deep cortical networks. These error signals are encoded at distal dendrites and induce burst-dependent plasticity as a result of excitatory-inhibitory top-down inputs. First, we demonstrate that our model can effectively backpropagate errors through multiple layers using a single-phase learning process. Next, we show both empirically and analytically that learning in our model approximates backprop-derived gradients. Finally, we demonstrate that our model is capable of learning complex image classification tasks (MNIST and CIFAR-10). Overall, our results suggest that cortical features across sub-cellular, cellular, microcircuit and systems levels jointly underlie single-phase efficient deep learning in the brain.

We propose the use of a conjecturing machine that generates feature relationships in the form of bounds involving nonlinear terms for numerical features and boolean expressions for categorical features. The proposed \textsc{Conjecturing} framework recovers known nonlinear and boolean relationships among features from data. In both settings, true underlying relationships are revealed. We then compare the method to a previously-proposed framework for symbolic regression and demonstrate that it can also be used to recover equations that are satisfied among features in a dataset. The framework is then applied to patient-level data regarding COVID-19 outcomes to suggest possible risk factors that are confirmed in medical literature.  ( 2 min )

We address two major obstacles to practical use of supervised classifiers on distributed private data. Whether a classifier was trained by a federation of cooperating clients or trained centrally out of distribution, (1) the output scores must be calibrated, and (2) performance metrics must be evaluated -- all without assembling labels in one place. In particular, we show how to perform calibration and compute precision, recall, accuracy and ROC-AUC in the federated setting under three privacy models (i) secure aggregation, (ii) distributed differential privacy, (iii) local differential privacy. Our theorems and experiments clarify tradeoffs between privacy, accuracy, and data efficiency. They also help decide whether a given application has sufficient data to support federated calibration and evaluation.  ( 2 min )

We present combinatorial and parallelizable algorithms for maximization of a submodular function, not necessarily monotone, with respect to a size constraint. We improve the best approximation factor achieved by an algorithm that has optimal adaptivity and nearly optimal query complexity to $0.193 - \varepsilon$. The conference version of this work mistakenly employed a subroutine that does not work for non-monotone, submodular functions. In this version, we propose a fixed and improved subroutine to add a set with high average marginal gain, \threseq, which returns a solution in $O( \log(n) )$ adaptive rounds with high probability. Moreover, we provide two approximation algorithms. The first has approximation ratio $1/6 - \varepsilon$, adaptivity $O( \log (n) )$, and query complexity $O( n \log (k) )$, while the second has approximation ratio $0.193 - \varepsilon$, adaptivity $O( \log^2 (n) )$, and query complexity $O(n \log (k))$. Our algorithms are empirically validated to use a low number of adaptive rounds and total queries while obtaining solutions with high objective value in comparison with state-of-the-art approximation algorithms, including continuous algorithms that use the multilinear extension.  ( 2 min )

We evaluate the use of original game curricula supported by the Atari 2600 console as a heterogeneous transfer benchmark for deep reinforcement learning agents. Game designers created curricula using combinations of several discrete modifications to the basic versions of games such as Space Invaders, Breakout and Freeway, making them progressively more challenging for human players. By formally organising these modifications into several factors of variation, we are able to show that Analyses of Variance (ANOVA) are a potent tool for studying the effects of human-relevant domain changes on the learning and transfer performance of a deep reinforcement learning agent. Since no manual task engineering is needed on our part, leveraging the original multi-factorial design avoids the pitfalls of unintentionally biasing the experimental setup. We find that game design factors have a large and statistically significant impact on an agent's ability to learn, and so do their combinatorial interactions. Furthermore, we show that zero-shot transfer from the basic games to their respective variations is possible, but the variance in performance is also largely explained by interactions between factors. As such, we argue that Atari game curricula offer a challenging benchmark for transfer learning in RL, that can help the community better understand the generalisation capabilities of RL agents along dimensions which meaningfully impact human generalisation performance. As a start, we report that value-function finetuning of regularly trained agents achieves positive transfer in a majority of cases, but significant headroom for algorithmic innovation remains. We conclude with the observation that selective transfer from multiple variants could further improve performance.  ( 3 min )

We propose estimators based on kernel ridge regression for nonparametric causal functions such as dose, heterogeneous, and incremental response curves. Treatment and covariates may be discrete or continuous in general spaces. Due to a decomposition property specific to the RKHS, our estimators have simple closed form solutions. We prove uniform consistency with finite sample rates via original analysis of generalized kernel ridge regression. We extend our main results to counterfactual distributions and to causal functions identified by front and back door criteria. We achieve state-of-the-art performance in nonlinear simulations with many covariates, and conduct a policy evaluation of the US Job Corps training program for disadvantaged youths.  ( 2 min )

Automatic speech recognition (ASR) systems degrade significantly in face of noisy conditions. Recently, speech enhancement (SE) has been introduced as front-end module to reduce noise and improve speech quality for ASR, but it would also suppress some important speech information, i.e., over-suppression problem. To alleviate this, we propose a dual-path style learning approach for end-to-end noise-robust automatic speech recognition (DPSL-ASR). Specifically, we first introduce clean speech feature along with the fused feature from previously proposed IFF-Net as dual-path inputs to recover the over-suppressed information. Then, we propose a style learning method to map the fused feature close to clean feature, in order to learn latent speech information from the latter, i.e., clean "speech style". Furthermore, we employ consistency loss to minimize the distance of ASR outputs in two paths to improve noise-robustness. Experimental results show that the proposed approach achieves relative word error rate (WER) reductions of 10.6% and 8.6% over the best IFF-Net baseline, on RATS Channel-A and CHiME-4 1-Channel Track datasets, respectively. Visualizations of intermediate embeddings indicate that DPSL-ASR can recover abundant over-suppressed information in enhanced speech. Our code is available at GitHub: https://github.com/YUCHEN005/DPSL-ASR.  ( 2 min )

A machine learning model, under the influence of observed or unobserved confounders in the training data, can learn spurious correlations and fail to generalize when deployed. For image classifiers, augmenting a training dataset using counterfactual examples has been empirically shown to break spurious correlations. However, the counterfactual generation task itself becomes more difficult as the level of confounding increases. Existing methods for counterfactual generation under confounding consider a fixed set of interventions (e.g., texture, rotation) and are not flexible enough to capture diverse data-generating processes. Given a causal generative process, we formally characterize the adverse effects of confounding on any downstream tasks and show that the correlation between generative factors (attributes) can be used to quantitatively measure confounding between generative factors. To minimize such correlation, we propose a counterfactual generation method that learns to modify the value of any attribute in an image and generate new images given a set of observed attributes, even when the dataset is highly confounded. These counterfactual images are then used to regularize the downstream classifier such that the learned representations are the same across various generative factors conditioned on the class label. Our method is computationally efficient, simple to implement, and works well for any number of generative factors and confounding variables. Our experimental results on both synthetic (MNIST variants) and real-world (CelebA) datasets show the usefulness of our approach.  ( 2 min )

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e. objective function queries) with maximal expected utility with respect to the posterior distribution of a Bayesian model, which quantifies reducible, epistemic uncertainty about query outcomes. In practice, subjectively implausible outcomes can occur regularly for two reasons: 1) model misspecification and 2) covariate shift. Conformal prediction is an uncertainty quantification method with coverage guarantees even for misspecified models and a simple mechanism to correct for covariate shift. We propose conformal Bayesian optimization, which directs queries towards regions of search space where the model predictions have guaranteed validity, and investigate its behavior on a suite of black-box optimization tasks and tabular ranking tasks. In many cases we find that query coverage can be significantly improved without harming sample-efficiency.  ( 2 min )

Learning to solve complex sequences of tasks--while both leveraging transfer and avoiding catastrophic forgetting--remains a key obstacle to achieving human-level intelligence. The progressive networks approach represents a step forward in this direction: they are immune to forgetting and can leverage prior knowledge via lateral connections to previously learned features. We evaluate this architecture extensively on a wide variety of reinforcement learning tasks (Atari and 3D maze games), and show that it outperforms common baselines based on pretraining and finetuning. Using a novel sensitivity measure, we demonstrate that transfer occurs at both low-level sensory and high-level control layers of the learned policy.  ( 2 min )

This work explores the effect of noisy sample selection in active learning strategies. We show on both synthetic problems and real-life use-cases that knowledge of the sample noise can significantly improve the performance of active learning strategies. Building on prior work, we propose a robust sampler, Incremental Weighted K-Means that brings significant improvement on the synthetic tasks but only a marginal uplift on real-life ones. We hope that the questions raised in this paper are of interest to the community and could open new paths for active learning research.  ( 2 min )

Clinician-facing predictive models are increasingly present in the healthcare setting. Regardless of their success with respect to performance metrics, all models have uncertainty. We investigate how to visually communicate uncertainty in this setting in an actionable, trustworthy way. To this end, we conduct a qualitative study with cardiac critical care clinicians. Our results reveal that clinician trust may be impacted most not by the degree of uncertainty, but rather by how transparent the visualization of what the sources of uncertainty are. Our results show a clear connection between feature interpretability and clinical actionability.  ( 2 min )

Current methods for 3D object reconstruction from a set of planar cross-sections still struggle to capture detailed topology or require a considerable number of cross-sections. In this paper, we present, to the best of our knowledge the first 3D shape reconstruction network to solve this task which additionally uses orthographic projections of the shape. Our method is based on applying a Reinforcement Learning algorithm to learn how to effectively parse the shape using a trial-and-error scheme relying on scalar rewards. This method cuts a part of a 3D shape in each step which is then approximated as a polygon mesh. The agent aims to maximize the reward that depends on the accuracy of surface reconstruction for the approximated parts. We also consider pre-training of the network for faster learning using demonstrations generated by a heuristic approach. Experiments show that our training algorithm which benefits from both imitation learning and also self exploration, learns efficient policies faster, which results the agent to produce visually compelling results.  ( 2 min )

Zero-Shot Learning (ZSL) aims to transfer classification capability from seen to unseen classes. Recent methods have proved that generalization and specialization are two essential abilities to achieve good performance in ZSL. However, focusing on only one of the abilities may result in models that are either too general with degraded classification ability or too specialized to generalize to unseen classes. In this paper, we propose an end-to-end network, termed as BGSNet, which equips and balances generalization and specialization abilities at the instance and dataset level. Specifically, BGSNet consists of two branches: the Generalization Network (GNet), which applies episodic meta-learning to learn generalized knowledge, and the Balanced Specialization Network (BSNet), which adopts multiple attentive extractors to extract discriminative features and achieve instance-level balance. A novel self-adjusted diversity loss is designed to optimize BSNet with redundancy reduced and diversity boosted. We further propose a differentiable dataset-level balance and update the weights in a linear annealing schedule to simulate network pruning and thus obtain the optimal structure for BSNet with dataset-level balance achieved. Experiments on four benchmark datasets demonstrate our model's effectiveness. Sufficient component ablations prove the necessity of integrating and balancing generalization and specialization abilities.

Recently, hyperspherical embeddings have established themselves as a dominant technique for face and voice recognition. Specifically, Euclidean space vector embeddings are learned to encode person-specific information in their direction while ignoring the magnitude. However, recent studies have shown that the magnitudes of the embeddings extracted by deep neural networks may indicate the quality of the corresponding inputs. This paper explores the properties of the magnitudes of the embeddings related to quality assessment and out-of-distribution detection. We propose a new probabilistic speaker embedding extractor using the information encoded in the embedding magnitude and leverage it in the speaker verification pipeline. We also propose several quality-aware diarization methods and incorporate the magnitudes in those. Our results indicate significant improvements over magnitude-agnostic baselines both in speaker verification and diarization tasks.

Weak Supervision (WS) techniques allow users to efficiently create large training datasets by programmatically labeling data with heuristic sources of supervision. While the success of WS relies heavily on the provided labeling heuristics, the process of how these heuristics are created in practice has remained under-explored. In this work, we formalize the development process of labeling heuristics as an interactive procedure, built around the existing workflow where users draw ideas from a selected set of development data for designing the heuristic sources. With the formalism, we study two core problems of how to strategically select the development data to guide users in efficiently creating informative heuristics, and how to exploit the information within the development process to contextualize and better learn from the resultant heuristics. Building upon two novel methodologies that effectively tackle the respective problems considered, we present Nemo, an end-to-end interactive system that improves the overall productivity of WS learning pipeline by an average 20% (and up to 47% in one task) compared to the prevailing WS approach.

Online imitation learning is the problem of how best to mimic expert demonstrations, given access to the environment or an accurate simulator. Prior work has shown that in the infinite sample regime, exact moment matching achieves value equivalence to the expert policy. However, in the finite sample regime, even if one has no optimization error, empirical variance can lead to a performance gap that scales with $H^2 / N$ for behavioral cloning and $H / \sqrt{N}$ for online moment matching, where $H$ is the horizon and $N$ is the size of the expert dataset. We introduce the technique of replay estimation to reduce this empirical variance: by repeatedly executing cached expert actions in a stochastic simulator, we compute a smoother expert visitation distribution estimate to match. In the presence of general function approximation, we prove a meta theorem reducing the performance gap of our approach to the parameter estimation error for offline classification (i.e. learning the expert policy). In the tabular setting or with linear function approximation, our meta theorem shows that the performance gap incurred by our approach achieves the optimal $\widetilde{O} \left( \min({H^{3/2}} / {N}, {H} / {\sqrt{N}} \right)$ dependency, under significantly weaker assumptions compared to prior work. We implement multiple instantiations of our approach on several continuous control tasks and find that we are able to significantly improve policy performance across a variety of dataset sizes.

Markov decision processes (MDPs) are formal models commonly used in sequential decision-making. MDPs capture the stochasticity that may arise, for instance, from imprecise actuators via probabilities in the transition function. However, in data-driven applications, deriving precise probabilities from (limited) data introduces statistical errors that may lead to unexpected or undesirable outcomes. Uncertain MDPs (uMDPs) do not require precise probabilities but instead use so-called uncertainty sets in the transitions, accounting for such limited data. Tools from the formal verification community efficiently compute robust policies that provably adhere to formal specifications, like safety constraints, under the worst-case instance in the uncertainty set. We continuously learn the transition probabilities of an MDP in a robust anytime-learning approach that combines a dedicated Bayesian inference scheme with the computation of robust policies. In particular, our method (1) approximates probabilities as intervals, (2) adapts to new data that may be inconsistent with an intermediate model, and (3) may be stopped at any time to compute a robust policy on the uMDP that faithfully captures the data so far. Furthermore, our method is capable of adapting to changes in the environment. We show the effectiveness of our approach and compare it to robust policies computed on uMDPs learned by the UCRL2 reinforcement learning algorithm in an experimental evaluation on several benchmarks.

Pretrained language models (LMs) are susceptible to generate text with nonfactual information. In this work, we measure and improve the factual accuracy of large-scale LMs for open-ended text generation. We design the FactualityPrompts test set and metrics to measure the factuality of LM generations. Based on that, we study the factual accuracy of LMs with parameter sizes ranging from 126M to 530B. Interestingly, we find that larger LMs are more factual than smaller ones, although a previous study suggests that larger LMs can be less truthful in terms of misconceptions. In addition, popular sampling algorithms (e.g., top-p) in open-ended text generation can harm the factuality due to the ''uniform randomness'' introduced at every sampling step. We propose the factual-nucleus sampling algorithm that dynamically adapts the randomness to improve the factuality of generation while maintaining quality. Furthermore, we analyze the inefficiencies of the standard training method in learning correct associations between entities from factual text corpus (e.g., Wikipedia). We propose a factuality-enhanced training method that uses TopicPrefix for better awareness of facts and sentence completion as the training objective, which can vastly reduce the factual errors.

Model Agnostic Meta Learning (MAML) is widely used to find a good initialization for a family of tasks. Despite its success, a critical challenge in MAML is to calculate the gradient w.r.t. the initialization of a long training trajectory for the sampled tasks, because the computation graph can rapidly explode and the computational cost is very expensive. To address this problem, we propose Adjoint MAML (A-MAML). We view gradient descent in the inner optimization as the evolution of an Ordinary Differential Equation (ODE). To efficiently compute the gradient of the validation loss w.r.t. the initialization, we use the adjoint method to construct a companion, backward ODE. To obtain the gradient w.r.t. the initialization, we only need to run the standard ODE solver twice -- one is forward in time that evolves a long trajectory of gradient flow for the sampled task; the other is backward and solves the adjoint ODE. We need not create or expand any intermediate computational graphs, adopt aggressive approximations, or impose proximal regularizers in the training loss. Our approach is cheap, accurate, and adaptable to different trajectory lengths. We demonstrate the advantage of our approach in both synthetic and real-world meta-learning tasks.

Knowledge graph embedding methods are important for the knowledge graph completion (or link prediction) task. One existing efficient method, PairRE, leverages two separate vectors to model complex relations (i.e., 1-to-N, N-to-1, and N-to-N) in knowledge graphs. However, such a method strictly restricts entities on the hyper-ellipsoid surfaces which limits the optimization of entity distribution, leading to suboptimal performance of knowledge graph completion. To address this issue, we propose a novel score function TranSHER, which leverages relation-specific translations between head and tail entities to relax the constraint of hyper-ellipsoid restrictions. By introducing an intuitive and simple relation-specific translation, TranSHER can provide more direct guidance on optimization and capture more semantic characteristics of entities with complex relations. Experimental results show that TranSHER achieves significant performance improvements on link prediction and generalizes well to datasets in different domains and scales. Our codes are public available at https://github.com/yizhilll/TranSHER.

A high-dimensional and incomplete (HDI) matrix frequently appears in various big-data-related applications, which demonstrates the inherently non-negative interactions among numerous nodes. A non-negative latent factor (NLF) model performs efficient representation learning to an HDI matrix, whose learning process mostly relies on a single latent factor-dependent, non-negative and multiplicative update (SLF-NMU) algorithm. However, an SLF-NMU algorithm updates a latent factor based on the current update increment only without appropriate considerations of past learning information, resulting in slow convergence. Inspired by the prominent success of a proportional-integral (PI) controller in various applications, this paper proposes a Proportional-Integral-incorporated Non-negative Latent Factor (PI-NLF) model with two-fold ideas: a) establishing an Increment Refinement (IR) mechanism via considering the past update increments following the principle of a PI controller; and b) designing an IR-based SLF-NMU (ISN) algorithm to accelerate the convergence rate of a resultant model. Empirical studies on four HDI datasets demonstrate that a PI-NLF model outperforms the state-of-the-art models in both computational efficiency and estimation accuracy for missing data of an HDI matrix. Hence, this study unveils the feasibility of boosting the performance of a non-negative learning algorithm through an error feedback controller.

We give a method for proactively identifying small, plausible shifts in distribution which lead to large differences in model performance. These shifts are defined via parametric changes in the causal mechanisms of observed variables, where constraints on parameters yield a "robustness set" of plausible distributions and a corresponding worst-case loss over the set. While the loss under an individual parametric shift can be estimated via reweighting techniques such as importance sampling, the resulting worst-case optimization problem is non-convex, and the estimate may suffer from large variance. For small shifts, however, we can construct a local second-order approximation to the loss under shift and cast the problem of finding a worst-case shift as a particular non-convex quadratic optimization problem, for which efficient algorithms are available. We demonstrate that this second-order approximation can be estimated directly for shifts in conditional exponential family models, and we bound the approximation error. We apply our approach to a computer vision task (classifying gender from images), revealing sensitivity to shifts in non-causal attributes.

High-Dimensional and Incomplete (HDI) data are frequently found in various industrial applications with complex interactions among numerous nodes, which are commonly non-negative for representing the inherent non-negativity of node interactions. A Non-negative Latent Factor (NLF) model is able to extract intrinsic features from such data efficiently. However, existing NLF models all adopt a static divergence metric like Euclidean distance or {\alpha}-\b{eta} divergence to build its learning objective, which greatly restricts its scalability of accurately representing HDI data from different domains. Aiming at addressing this issue, this study presents an Adaptive Divergence-based Non-negative Latent Factor (ADNLF) model with three-fold ideas: a) generalizing the objective function with the {\alpha}-\b{eta}-divergence to expand its potential of representing various HDI data; b) adopting a non-negative bridging function to connect the optimization variables with output latent factors for fulfilling the non-negativity constraints constantly; and c) making the divergence parameters adaptive through particle swarm optimization, thereby facilitating adaptive divergence in the learning objective to achieve high scalability. Empirical studies are conducted on four HDI datasets from real applications, whose results demonstrate that in comparison with state-of-the-art NLF models, an ADNLF model achieves significantly higher estimation accuracy for missing data of an HDI dataset with high computational efficiency.

Recent advances in federated learning have demonstrated its promising capability to learn on decentralized datasets. However, a considerable amount of work has raised concerns due to the potential risks of adversaries participating in the framework to poison the global model for an adversarial purpose. This paper investigates the feasibility of model poisoning for backdoor attacks through rare word embeddings of NLP models. In text classification, less than 1% of adversary clients suffices to manipulate the model output without any drop in the performance on clean sentences. For a less complex dataset, a mere 0.1% of adversary clients is enough to poison the global model effectively. We also propose a technique specialized in the federated learning scheme called Gradient Ensemble, which enhances the backdoor performance in all our experimental settings.

Machine learning models are prone to overfitting their training (source) domains, which is commonly believed to be the reason why they falter in novel target domains. Here we examine the contrasting view that multi-source domain generalization (DG) is first and foremost a problem of mitigating source domain underfitting: models not adequately learning the signal already present in their multi-domain training data. Experiments on a reading comprehension DG benchmark show that as a model learns its source domains better -- using familiar methods such as knowledge distillation (KD) from a bigger model -- its zero-shot out-of-domain utility improves at an even faster pace. Improved source domain learning also demonstrates superior out-of-domain generalization over three popular existing DG approaches that aim to limit overfitting. Our implementation of KD-based domain generalization is available via PrimeQA at: https://ibm.biz/domain-generalization-with-kd.

This paper studies the robustness of data valuation to noisy model performance scores. Particularly, we find that the inherent randomness of the widely used stochastic gradient descent can cause existing data value notions (e.g., the Shapley value and the Leave-one-out error) to produce inconsistent data value rankings across different runs. To address this challenge, we first pose a formal framework within which one can measure the robustness of a data value notion. We show that the Banzhaf value, a value notion originated from cooperative game theory literature, achieves the maximal robustness among all semivalues -- a class of value notions that satisfy crucial properties entailed by ML applications. We propose an algorithm to efficiently estimate the Banzhaf value based on the Maximum Sample Reuse (MSR) principle. We derive the lower bound sample complexity for Banzhaf value estimation, and we show that our MSR algorithm's sample complexity is close to the lower bound. Our evaluation demonstrates that the Banzhaf value outperforms the existing semivalue-based data value notions on several downstream ML tasks such as learning with weighted samples and noisy label detection. Overall, our study suggests that when the underlying ML algorithm is stochastic, the Banzhaf value is a promising alternative to the semivalue-based data value schemes given its computational advantage and ability to robustly differentiate data quality.

Long-term fairness is an important factor of consideration in designing and deploying learning-based decision systems in high-stake decision-making contexts. Recent work has proposed the use of Markov Decision Processes (MDPs) to formulate decision-making with long-term fairness requirements in dynamically changing environments, and demonstrated major challenges in directly deploying heuristic and rule-based policies that worked well in static environments. We show that policy optimization methods from deep reinforcement learning can be used to find strictly better decision policies that can often achieve both higher overall utility and less violation of the fairness requirements, compared to previously-known strategies. In particular, we propose new methods for imposing fairness requirements in policy optimization by regularizing the advantage evaluation of different actions. Our proposed methods make it easy to impose fairness constraints without reward engineering or sacrificing training efficiency. We perform detailed analyses in three established case studies, including attention allocation in incident monitoring, bank loan approval, and vaccine distribution in population networks.

Analyzing a huge amount of malware is a major burden for security analysts. Since emerging malware is often a variant of existing malware, automatically classifying malware into known families greatly reduces a part of their burden. Image-based malware classification with deep learning is an attractive approach for its simplicity, versatility, and affinity with the latest technologies. However, the impact of differences in deep learning models and the degree of transfer learning on the classification accuracy of malware variants has not been fully studied. In this paper, we conducted an exhaustive survey of deep learning models using 24 ImageNet pre-trained models and five fine-tuning parameters, totaling 120 combinations, on two platforms. As a result, we found that the highest classification accuracy was obtained by fine-tuning one of the latest deep learning models with a relatively low degree of transfer learning, and we achieved the highest classification accuracy ever in cross-validation on the Malimg and Drebin datasets. We also confirmed that this trend holds true for the recent malware variants using the VirusTotal 2020 Windows and Android datasets. The experimental results suggest that it is effective to periodically explore optimal deep learning models with the latest models and malware datasets by gradually reducing the degree of transfer learning from half.

Deep learning has achieved tremendous success by training increasingly large models, which are then compressed for practical deployment. We propose a drastically different approach to compact and optimal deep learning: We decouple the Degrees of freedom (DoF) and the actual number of parameters of a model, optimize a small DoF with predefined random linear constraints for a large model of arbitrary architecture, in one-stage end-to-end learning. Specifically, we create a recurrent parameter generator (RPG), which repeatedly fetches parameters from a ring and unpacks them onto a large model with random permutation and sign flipping to promote parameter decorrelation. We show that gradient descent can automatically find the best model under constraints with faster convergence. Our extensive experimentation reveals a log-linear relationship between model DoF and accuracy. Our RPG demonstrates remarkable DoF reduction and can be further pruned and quantized for additional run-time performance gain. For example, in terms of top-1 accuracy on ImageNet, RPG achieves $96\%$ of ResNet18's performance with only $18\%$ DoF (the equivalent of one convolutional layer) and $52\%$ of ResNet34's performance with only $0.25\%$ DoF! Our work shows a significant potential of constrained neural optimization in compact and optimal deep learning.

We make an attempt to understanding convolutional neural network by exploring the relationship between (deep) convolutional neural networks and Volterra convolutions. We propose a novel approach to explain and study the overall characteristics of neural networks without being disturbed by the horribly complex architectures. Specifically, we attempt to convert the basic structures of a convolutional neural network (CNN) and their combinations to the form of Volterra convolutions. The results show that most of convolutional neural networks can be approximated in the form of Volterra convolution, where the approximated proxy kernels preserve the characteristics of the original network. Analyzing these proxy kernels may give valuable insight about the original network. Base on this setup, we presented methods to approximating the order-zero and order-one proxy kernels, and verified the correctness and effectiveness of our results.

This paper tackles post-hoc interpretability for audio processing networks. Our goal is to interpret decisions of a network in terms of high-level audio objects that are also listenable for the end-user. To this end, we propose a novel interpreter design that incorporates non-negative matrix factorization (NMF). In particular, a carefully regularized interpreter module is trained to take hidden layer representations of the targeted network as input and produce time activations of pre-learnt NMF components as intermediate outputs. Our methodology allows us to generate intuitive audio-based interpretations that explicitly enhance parts of the input signal most relevant for a network's decision. We demonstrate our method's applicability on popular benchmarks, including a real-world multi-label classification task.

We analyze the storage and recall of factual associations in autoregressive transformer language models, finding evidence that these associations correspond to localized, directly-editable computations. We first develop a causal intervention for identifying neuron activations that are decisive in a model's factual predictions. This reveals a distinct set of steps in middle-layer feed-forward modules that mediate factual predictions while processing subject tokens. To test our hypothesis that these computations correspond to factual association recall, we modify feed-forward weights to update specific factual associations using Rank-One Model Editing (ROME). We find that ROME is effective on a standard zero-shot relation extraction (zsRE) model-editing task, comparable to existing methods. To perform a more sensitive evaluation, we also evaluate ROME on a new dataset of counterfactual assertions, on which it simultaneously maintains both specificity and generalization, whereas other methods sacrifice one or another. Our results confirm an important role for mid-layer feed-forward modules in storing factual associations and suggest that direct manipulation of computational mechanisms may be a feasible approach for model editing. The code, dataset, visualizations, and an interactive demo notebook are available at https://rome.baulab.info/

Training even moderately-sized generative models with differentially-private stochastic gradient descent (DP-SGD) is difficult: the required level of noise for reasonable levels of privacy is simply too large. We advocate instead building off a good, relevant representation on an informative public dataset, then learning to model the private data with that representation. In particular, we minimize the maximum mean discrepancy (MMD) between private target data and a generator's distribution, using a kernel based on perceptual features learned from a public dataset. With the MMD, we can simply privatize the data-dependent term once and for all, rather than introducing noise at each step of optimization as in DP-SGD. Our algorithm allows us to generate CIFAR10-level images with $\epsilon \approx 2$ which capture distinctive features in the distribution, far surpassing the current state of the art, which mostly focuses on datasets such as MNIST and FashionMNIST at a large $\epsilon \approx 10$. Our work introduces simple yet powerful foundations for reducing the gap between private and non-private deep generative models.

Successful applications of InfoNCE and its variants have popularized the use of contrastive variational mutual information (MI) estimators in machine learning. While featuring superior stability, these estimators crucially depend on costly large-batch training, and they sacrifice bound tightness for variance reduction. To overcome these limitations, we revisit the mathematics of popular variational MI bounds from the lens of unnormalized statistical modeling and convex optimization. Our investigation not only yields a new unified theoretical framework encompassing popular variational MI bounds but also leads to a novel, simple, and powerful contrastive MI estimator named as FLO. Theoretically, we show that the FLO estimator is tight, and it provably converges under stochastic gradient descent. Empirically, our FLO estimator overcomes the limitations of its predecessors and learns more efficiently. The utility of FLO is verified using an extensive set of benchmarks, which also reveals the trade-offs in practical MI estimation.

Interacting particle systems play a key role in science and engineering. Access to the governing particle interaction law is fundamental for a complete understanding of such systems. However, the inherent system complexity keeps the particle interaction hidden in many cases. Machine learning methods have the potential to learn the behavior of interacting particle systems by combining experiments with data analysis methods. However, most existing algorithms focus on learning the kinetics at the particle level. Learning pairwise interaction, e.g., pairwise force or pairwise potential energy, remains an open challenge. Here, we propose an algorithm that adapts the Graph Networks framework, which contains an edge part to learn the pairwise interaction and a node part to model the dynamics at particle level. Different from existing approaches that use neural networks in both parts, we design a deterministic operator in the node part that allows to precisely infer the pairwise interactions that are consistent with underlying physical laws by only being trained to predict the particle acceleration. We test the proposed methodology on multiple datasets and demonstrate that it achieves superior performance in inferring correctly the pairwise interactions while also being consistent with the underlying physics on all the datasets. The proposed framework is scalable to larger systems and transferable to any type of particle interactions, contrary to the previously proposed purely data-driven solutions. The developed methodology can support a better understanding and discovery of the underlying particle interaction laws, and hence guide the design of materials with targeted properties.

Existing textual adversarial attacks usually utilize the gradient or prediction confidence to generate adversarial examples, making it hard to be deployed in real-world applications. To this end, we consider a rarely investigated but more rigorous setting, namely hard-label attack, in which the attacker can only access the prediction label. In particular, we find we can learn the importance of different words via the change on prediction label caused by word substitutions on the adversarial examples. Based on this observation, we propose a novel adversarial attack, termed Text Hard-label attacker (TextHacker). TextHacker randomly perturbs lots of words to craft an adversarial example. Then, TextHacker adopts a hybrid local search algorithm with the estimation of word importance from the attack history to minimize the adversarial perturbation. Extensive evaluations for text classification and textual entailment show that TextHacker significantly outperforms existing hard-label attacks regarding the attack performance as well as adversary quality.

Design of de novo biological sequences with desired properties, like protein and DNA sequences, often involves an active loop with several rounds of molecule ideation and expensive wet-lab evaluations. These experiments can consist of multiple stages, with increasing levels of precision and cost of evaluation, where candidates are filtered. This makes the diversity of proposed candidates a key consideration in the ideation phase. In this work, we propose an active learning algorithm leveraging epistemic uncertainty estimation and the recently proposed GFlowNets as a generator of diverse candidate solutions, with the objective to obtain a diverse batch of useful (as defined by some utility function, for example, the predicted anti-microbial activity of a peptide) and informative candidates after each round. We also propose a scheme to incorporate existing labeled datasets of candidates, in addition to a reward function, to speed up learning in GFlowNets. We present empirical results on several biological sequence design tasks, and we find that our method generates more diverse and novel batches with high scoring candidates compared to existing approaches.

Learning the embeddings of knowledge graphs (KG) is vital in artificial intelligence, and can benefit various downstream applications, such as recommendation and question answering. In recent years, many research efforts have been proposed for knowledge graph embedding (KGE). However, most previous KGE methods ignore the semantic similarity between the related entities and entity-relation couples in different triples since they separately optimize each triple with the scoring function. To address this problem, we propose a simple yet efficient contrastive learning framework for tensor decomposition based (TDB) KGE, which can shorten the semantic distance of the related entities and entity-relation couples in different triples and thus improve the performance of KGE. We evaluate our proposed method on three standard KGE datasets: WN18RR, FB15k-237 and YAGO3-10. Our method can yield some new state-of-the-art results, achieving 51.2% MRR, 46.8% Hits@1 on the WN18RR dataset, 37.8% MRR, 28.6% Hits@1 on FB15k-237 dataset, and 59.1% MRR, 51.8% Hits@1 on the YAGO3-10 dataset.

Cardiorespiratory fitness is an established predictor of metabolic disease and mortality. Fitness is directly measured as maximal oxygen consumption (VO$_{2}max$), or indirectly assessed using heart rate responses to standard exercise tests. However, such testing is costly and burdensome because it requires specialized equipment such as treadmills and oxygen masks, limiting its utility. Modern wearables capture dynamic real-world data which could improve fitness prediction. In this work, we design algorithms and models that convert raw wearable sensor data into cardiorespiratory fitness estimates. We validate these estimates' ability to capture fitness profiles in free-living conditions using the Fenland Study (N=11,059), along with its longitudinal cohort (N=2,675), and a third external cohort using the UK Biobank Validation Study (N=181) who underwent maximal VO$_{2}max$ testing, the gold standard measurement of fitness. Our results show that the combination of wearables and other biomarkers as inputs to neural networks yields a strong correlation to ground truth in a holdout sample (r = 0.82, 95CI 0.80-0.83), outperforming other approaches and models and detects fitness change over time (e.g., after 7 years). We also show how the model's latent space can be used for fitness-aware patient subtyping paving the way to scalable interventions and personalized trial recruitment. These results demonstrate the value of wearables for fitness estimation that today can be measured only with laboratory tests.

Particularly in low-data regimes, an outstanding challenge in machine learning is developing principled techniques for augmenting our models with suitable priors. This is to encourage them to learn in ways that are compatible with our understanding of the world. But in contrast to generic priors such as shrinkage or sparsity, we draw inspiration from the recent successes of large-scale language models (LMs) to construct task-specific priors distilled from the rich knowledge of LMs. Our method, Language Model Priors (LMPriors), incorporates auxiliary natural language metadata about the task -- such as variable names and descriptions -- to encourage downstream model outputs to be consistent with the LM's common-sense reasoning based on the metadata. Empirically, we demonstrate that LMPriors improve model performance in settings where such natural language descriptions are available, and perform well on several tasks that benefit from such prior knowledge, such as feature selection, causal inference, and safe reinforcement learning.

Federated learning (FedL) has emerged as a popular technique for distributing model training over a set of wireless devices, via iterative local updates (at devices) and global aggregations (at the server). In this paper, we develop parallel successive learning (PSL), which expands the FedL architecture along three dimensions: (i) Network, allowing decentralized cooperation among the devices via device-to-device (D2D) communications. (ii) Heterogeneity, interpreted at three levels: (ii-a) Learning: PSL considers heterogeneous number of stochastic gradient descent iterations with different mini-batch sizes at the devices; (ii-b) Data: PSL presumes a dynamic environment with data arrival and departure, where the distributions of local datasets evolve over time, captured via a new metric for model/concept drift. (ii-c) Device: PSL considers devices with different computation and communication capabilities. (iii) Proximity, where devices have different distances to each other and the access point. PSL considers the realistic scenario where global aggregations are conducted with idle times in-between them for resource efficiency improvements, and incorporates data dispersion and model dispersion with local model condensation into FedL. Our analysis sheds light on the notion of cold vs. warmed up models, and model inertia in distributed machine learning. We then propose network-aware dynamic model tracking to optimize the model learning vs. resource efficiency tradeoff, which we show is an NP-hard signomial programming problem. We finally solve this problem through proposing a general optimization solver. Our numerical results reveal new findings on the interdependencies between the idle times in-between the global aggregations, model/concept drift, and D2D cooperation configuration.

Patient scheduling is a difficult task involving stochastic factors such as the unknown arrival times of patients. Similarly, the scheduling of radiotherapy for cancer treatments needs to handle patients with different urgency levels when allocating resources. High priority patients may arrive at any time, and there must be resources available to accommodate them. A common solution is to reserve a flat percentage of treatment capacity for emergency patients. However, this solution can result in overdue treatments for urgent patients, a failure to fully exploit treatment capacity, and delayed treatments for low-priority patients. This problem is especially severe in large and crowded hospitals. In this paper, we propose a prediction-based approach for online dynamic radiotherapy scheduling that dynamically adapts the present scheduling decision based on each incoming patient and the current allocation of resources. Our approach is based on a regression model trained to recognize the links between patients' arrival patterns, and their ideal waiting time in optimal offline solutions where all future arrivals are known in advance. When our prediction-based approach is compared to flat-reservation policies, it does a better job of preventing overdue treatments for emergency patients, while also maintaining comparable waiting times for the other patients. We also demonstrate how our proposed approach supports explainability and interpretability in scheduling decisions using SHAP values.

This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.

Maximum likelihood estimation (MLE) is the predominant algorithm for training text generation models. This paradigm relies on direct supervision examples, which is not applicable to many emerging applications, such as generating adversarial attacks or generating prompts to control language models. Reinforcement learning (RL) on the other hand offers a more flexible solution by allowing users to plug in arbitrary task metrics as reward. Yet previous RL algorithms for text generation, such as policy gradient (on-policy RL) and Q-learning (off-policy RL), are often notoriously inefficient or unstable to train due to the large sequence space and the sparse reward received only at the end of sequences. In this paper, we introduce a new RL formulation for text generation from the soft Q-learning (SQL) perspective. It enables us to draw from the latest RL advances, such as path consistency learning, to combine the best of on-/off-policy updates, and learn effectively from sparse reward. We apply the approach to a wide range of novel text generation tasks, including learning from noisy/negative examples, adversarial attacks, and prompt generation. Experiments show our approach consistently outperforms both task-specialized algorithms and the previous RL methods.

We propose generative multitask learning (GMTL), a simple and scalable approach to causal representation learning for multitask learning. Our approach makes a minor change to the conventional multitask inference objective, and improves robustness to target shift. Since GMTL only modifies the inference objective, it can be used with existing multitask learning methods without requiring additional training. The improvement in robustness comes from mitigating unobserved confounders that cause the targets, but not the input. We refer to them as \emph{target-causing confounders}. These confounders induce spurious dependencies between the input and targets. This poses a problem for conventional multitask learning, due to its assumption that the targets are conditionally independent given the input. GMTL mitigates target-causing confounding at inference time, by removing the influence of the joint target distribution, and predicting all targets jointly. This removes the spurious dependencies between the input and targets, where the degree of removal is adjustable via a single hyperparameter. This flexibility is useful for managing the trade-off between in- and out-of-distribution generalization. Our results on the Attributes of People and Taskonomy datasets reflect an improved robustness to target shift across four multitask learning methods.

Multi-armed bandits (MAB) provide a principled online learning approach to attain the balance between exploration and exploitation. Due to the superior performance and low feedback learning without the learning to act in multiple situations, Multi-armed Bandits drawing widespread attention in applications ranging such as recommender systems. Likewise, within the recommender system, collaborative filtering (CF) is arguably the earliest and most influential method in the recommender system. Crucially, new users and an ever-changing pool of recommended items are the challenges that recommender systems need to address. For collaborative filtering, the classical method is training the model offline, then perform the online testing, but this approach can no longer handle the dynamic changes in user preferences which is the so-called cold start. So how to effectively recommend items to users in the absence of effective information? To address the aforementioned problems, a multi-armed bandit based collaborative filtering recommender system has been proposed, named BanditMF. BanditMF is designed to address two challenges in the multi-armed bandits algorithm and collaborative filtering: (1) how to solve the cold start problem for collaborative filtering under the condition of scarcity of valid information, (2) how to solve the sub-optimal problem of bandit algorithms in strong social relations domains caused by independently estimating unknown parameters associated with each user and ignoring correlations between users.

Quantum machine learning is an emerging field at the intersection of machine learning and quantum computing. Classical cross entropy plays a central role in machine learning. We define its quantum generalization, the quantum cross entropy, prove its lower bounds, and investigate its relation to quantum fidelity. In the classical case, minimizing cross entropy is equivalent to maximizing likelihood. In the quantum case, when the quantum cross entropy is constructed from quantum data undisturbed by quantum measurements, this relation holds. Classical cross entropy is equal to negative log-likelihood. When we obtain quantum cross entropy through empirical density matrix based on measurement outcomes, the quantum cross entropy is lower-bounded by negative log-likelihood. These two different scenarios illustrate the information loss when making quantum measurements. We conclude that to achieve the goal of full quantum machine learning, it is crucial to utilize the deferred measurement principle.

Existing combinatorial search methods are often complex and require some expertise. In this work, we propose a simple and performant deep learning method, especially for goal-predefined combinatorial problems represented by Rubik's Cube. We show that, for solving such problems with high optimality, it can be sufficient to train a deep neural network on random scrambles branching from the goal state. When tested on Rubik's Cube, our method outperformed the previous state-of-the-art method DeepCubeA in solution optimality, being 10 times more efficient in training and 2.0 times in inference. One key assumption is that, when viewed from scrambled states, random moves from the goal are biased to be optimal. We also demonstrate the proposed method on 15 Puzzle and Lights Out.

Disentangled Graph Convolutional Network (DisenGCN) is an encouraging framework to disentangle the latent factors arising in a real-world graph. However, it relies on disentangling information heavily from a local range (i.e., a node and its 1-hop neighbors), while the local information in many cases can be uneven and incomplete, hindering the interpretabiliy power and model performance of DisenGCN. In this paper, we introduce a novel Local and Global Disentangled Graph Convolutional Network (LGD-GCN) to capture both local and global information for graph disentanglement. LGD-GCN performs a statistical mixture modeling to derive a factor-aware latent continuous space, and then constructs different structures w.r.t. different factors from the revealed space. In this way, the global factor-specific information can be efficiently and selectively encoded via a message passing along these built structures, strengthening the intra-factor consistency. We also propose a novel diversity promoting regularizer employed with the latent space modeling, to encourage inter-factor diversity. Evaluations of the proposed LGD-GCN on the synthetic and real-world datasets show a better interpretability and improved performance in node classification over the existing competitive models.

World knowledge exists in both structured (tables, knowledge graphs) and unstructured forms (texts). Recently, there have been extensive research efforts in the integration of structured factual knowledge and unstructured textual knowledge. However, most studies focus on incorporating static factual knowledge into pre-trained language models, while there is less work on enhancing temporal knowledge graph embedding using textual knowledge. Existing integration approaches can not apply to temporal knowledge graphs (tKGs) since they often assume knowledge embedding is time-invariant. In fact, the entity embedding in tKG embedding models usually evolves over time, which poses the challenge of aligning temporally relevant textual information with entities. To this end, we propose Enhanced Temporal Knowledge Embeddings with Contextualized Language Representations (ECOLA), which uses tKG quadruple as an implicit measure to temporally align textual data and the time-evolving entity representations and uses a novel knowledge-text prediction task to inject textual information into temporal knowledge embedding. ECOLA jointly optimizes the knowledge-text prediction objective and the temporal knowledge embedding objective, and thus, can simultaneously take full advantage of textual and structured knowledge. Since existing datasets do not provide tKGs with aligned textual data, we introduce three new datasets for training and evaluating ECOLA. Experimental results on the temporal knowledge graph completion task show that ECOLA outperforms state-of-the-art tKG embedding models by a large margin.

We propose cooperative edge-assisted dynamic federated learning (CE-FL). CE-FL introduces a distributed machine learning (ML) architecture, where data collection is carried out at the end devices, while the model training is conducted cooperatively at the end devices and the edge servers, enabled via data offloading from the end devices to the edge servers through base stations. CE-FL also introduces floating aggregation point, where the local models generated at the devices and the servers are aggregated at an edge server, which varies from one model training round to another to cope with the network evolution in terms of data distribution and users' mobility. CE-FL considers the heterogeneity of network elements in terms of communication/computation models and the proximity to one another. CE-FL further presumes a dynamic environment with online variation of data at the network devices which causes a drift at the ML model performance. We model the processes taken during CE-FL, and conduct analytical convergence analysis of its ML model training. We then formulate network-aware CE-FL which aims to adaptively optimize all the network elements via tuning their contribution to the learning process, which turns out to be a non-convex mixed integer problem. Motivated by the large scale of the system, we propose a distributed optimization solver to break down the computation of the solution across the network elements. We finally demonstrate the effectiveness of our framework with the data collected from a real-world testbed.

As two important textual modalities in electronic health records (EHR), both structured data (clinical codes) and unstructured data (clinical narratives) have recently been increasingly applied to the healthcare domain. Most existing EHR-oriented studies, however, either focus on a particular modality or integrate data from different modalities in a straightforward manner, which usually treats structured and unstructured data as two independent sources of information about patient admission and ignore the intrinsic interactions between them. In fact, the two modalities are documented during the same encounter where structured data inform the documentation of unstructured data and vice versa. In this paper, we proposed a Medical Multimodal Pre-trained Language Model, named MedM-PLM, to learn enhanced EHR representations over structured and unstructured data and explore the interaction of two modalities. In MedM-PLM, two Transformer-based neural network components are firstly adopted to learn representative characteristics from each modality. A cross-modal module is then introduced to model their interactions. We pre-trained MedM-PLM on the MIMIC-III dataset and verified the effectiveness of the model on three downstream clinical tasks, i.e., medication recommendation, 30-day readmission prediction and ICD coding. Extensive experiments demonstrate the power of MedM-PLM compared with state-of-the-art methods. Further analyses and visualizations show the robustness of our model, which could potentially provide more comprehensive interpretations for clinical decision-making.

Deep Reinforcement Learning (RL) is mainly studied in a setting where the training and the testing environments are similar. But in many practical applications, these environments may differ. For instance, in control systems, the robot(s) on which a policy is learned might differ from the robot(s) on which a policy will run. It can be caused by different internal factors (e.g., calibration issues, system attrition, defective modules) or also by external changes (e.g., weather conditions). There is a need to develop RL methods that generalize well to variations of the training conditions. In this article, we consider the simplest yet hard to tackle generalization setting where the test environment is unknown at train time, forcing the agent to adapt to the system's new dynamics. This online adaptation process can be computationally expensive (e.g., fine-tuning) and cannot rely on meta-RL techniques since there is just a single train environment. To do so, we propose an approach where we learn a subspace of policies within the parameter space. This subspace contains an infinite number of policies that are trained to solve the training environment while having different parameter values. As a consequence, two policies in that subspace process information differently and exhibit different behaviors when facing variations of the train environment. Our experiments carried out over a large variety of benchmarks compare our approach with baselines, including diversity-based methods. In comparison, our approach is simple to tune, does not need any extra component (e.g., discriminator) and learns policies able to gather a high reward on unseen environments.

Deep Learning (DL) methods have emerged as one of the most powerful tools for functional approximation and prediction. While the representation properties of DL have been well studied, uncertainty quantification remains challenging and largely unexplored. Data augmentation techniques are a natural approach to provide uncertainty quantification and to incorporate stochastic Monte Carlo search into stochastic gradient descent (SGD) methods. The purpose of our paper is to show that training DL architectures with data augmentation leads to efficiency gains. We use the theory of scale mixtures of normals to derive data augmentation strategies for deep learning. This allows variants of the expectation-maximization and MCMC algorithms to be brought to bear on these high dimensional nonlinear deep learning models. To demonstrate our methodology, we develop data augmentation algorithms for a variety of commonly used activation functions: logit, ReLU, leaky ReLU and SVM. Our methodology is compared to traditional stochastic gradient descent with back-propagation. Our optimization procedure leads to a version of iteratively re-weighted least squares and can be implemented at scale with accelerated linear algebra methods providing substantial improvement in speed. We illustrate our methodology on a number of standard datasets. Finally, we conclude with directions for future research.

Random-walk based network embedding algorithms like DeepWalk and node2vec are widely used to obtain Euclidean representation of the nodes in a network prior to performing downstream inference tasks. However, despite their impressive empirical performance, there is a lack of theoretical results explaining their large-sample behavior. In this paper, we study node2vec and DeepWalk through the perspective of matrix factorization. In particular, we analyze these algorithms in the setting of community detection for stochastic blockmodel graphs (and their degree-corrected variants). By exploiting the row-wise uniform perturbation bound for leading singular vectors, we derive high-probability error bounds between the matrix factorization-based node2vec/DeepWalk embeddings and their true counterparts, uniformly over all node embeddings. Based on strong concentration results, we further show the perfect membership recovery by node2vec/DeepWalk, followed by $K$-means/medians algorithms. Specifically, as the network becomes sparser, our results guarantee that with large enough window size and vertices number, applying $K$-means/medians on the matrix factorization-based node2vec embeddings can, with high probability, correctly recover the memberships of all vertices in a network generated from the stochastic blockmodel (or its degree-corrected variants). The theoretical justifications are mirrored in the numerical experiments and real data applications, for both the original node2vec and its matrix factorization variant.

In Federated Learning (FL), multiple clients collaborate to learn a shared model through a central server while keeping data decentralized. Personalized Federated Learning (PFL) further extends FL by learning a personalized model per client. In both FL and PFL, all clients participate in the training process and their labeled data are used for training. However, in reality, novel clients may wish to join a prediction service after it has been deployed, obtaining predictions for their own \textbf{unlabeled} data. Here, we introduce a new learning setup, On-Demand Unlabeled PFL (OD-PFL), where a system trained on a set of clients, needs to be later applied to novel unlabeled clients at inference time. We propose a novel approach to this problem, ODPFL-HN, which learns to produce a new model for the late-to-the-party client. Specifically, we train an encoder network that learns a representation for a client given its unlabeled data. That client representation is fed to a hypernetwork that generates a personalized model for that client. Evaluated on five benchmark datasets, we find that ODPFL-HN generalizes better than the current FL and PFL methods, especially when the novel client has a large shift from training clients. We also analyzed the generalization error for novel clients, and showed analytically and experimentally how novel clients can apply differential privacy.

Debiased machine learning is a meta algorithm based on bias correction and sample splitting to calculate confidence intervals for functionals, i.e. scalar summaries, of machine learning algorithms. For example, an analyst may desire the confidence interval for a treatment effect estimated with a neural network. We provide a nonasymptotic debiased machine learning theorem that encompasses any global or local functional of any machine learning algorithm that satisfies a few simple, interpretable conditions. Formally, we prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments. The rate of convergence is $n^{-1/2}$ for global functionals, and it degrades gracefully for local functionals. Our results culminate in a simple set of conditions that an analyst can use to translate modern learning theory rates into traditional statistical inference. The conditions reveal a general double robustness property for ill posed inverse problems.

Upcoming large astronomical surveys are expected to capture an unprecedented number of strong gravitational lensing systems. Deep learning is emerging as a promising practical tool for the detection and quantification of these galaxy-scale image distortions. The absence of large quantities of representative data from current astronomical surveys motivates the development of a robust forward-modeling approach using synthetic lensing images. Using a mock sample of strong lenses created upon a state-of-the-art extragalactic catalogs, we train a modular deep learning pipeline for uncertainty-quantified detection and modeling with intermediate image processing components for denoising and deblending the lensing systems. We demonstrate a high degree of interpretability and controlled systematics due to domain-specific task modules trained with different stages of synthetic image generation. For lens detection and modeling, we obtain semantically meaningful latent spaces that separate classes of strong lens images and yield uncertainty estimates that explain the origin of misclassified images and provide probabilistic predictions for the lens parameters. Validation of the inference pipeline has been carried out using images from the Subaru telescope's Hyper Suprime-Cam camera, and LSST DESC simulated DC2 sky survey catalogues.

In this paper, we present a comprehensive, in-depth survey of the literature on reinforcement learning approaches to decision optimization problems in a typical ridesharing system. Papers on the topics of rideshare matching, vehicle repositioning, ride-pooling, routing, and dynamic pricing are covered. Most of the literature has appeared in the last few years, and several core challenges are to continue to be tackled: model complexity, agent coordination, and joint optimization of multiple levers. Hence, we also introduce popular data sets and open simulation environments to facilitate further research and development. Subsequently, we discuss a number of challenges and opportunities for reinforcement learning research on this important domain.

With recent advances in artificial intelligence, machine learning (ML) approaches have become an attractive tool in petroleum engineering, particularly for reservoir characterizations. A key reservoir property is hydrocarbon recovery factor (RF) whose accurate estimation would provide decisive insights to drilling and production strategies. Therefore, this study aims to estimate the hydrocarbon RF for exploration from various reservoir characteristics, such as porosity, permeability, pressure, and water saturation via the ML. We applied three regression-based models including the extreme gradient boosting (XGBoost), support vector machine (SVM), and stepwise multiple linear regression (MLR) and various combinations of three databases to construct ML models and estimate the oil and/or gas RF. Using two databases and the cross-validation method, we evaluated the performance of the ML models. In each iteration 90 and 10% of the data were respectively used to train and test the models. The third independent database was then used to further assess the constructed models. For both oil and gas RFs, we found that the XGBoost model estimated the RF for the train and test datasets more accurately than the SVM and MLR models. However, the performance of all the models were unsatisfactory for the independent databases. Results demonstrated that the ML algorithms were highly dependent and sensitive to the databases based on which they were trained. Statistical tests revealed that such unsatisfactory performances were because the distributions of input features and target variables in the train datasets were significantly different from those in the independent databases (p-value < 0.05).

Gradient Boosting (GB) is a popular methodology used to solve prediction problems by minimizing a differentiable loss function, $L$. GB performs very well on tabular machine learning (ML) problems; however, as a pure ML solver it lacks the ability to fit models with probabilistic but correlated multi-dimensional outputs, for example, multiple correlated Bernoulli outputs. GB also does not form intermediate abstract data embeddings, one property of Deep Learning that gives greater flexibility and performance on other types of problems. This paper presents a simple adjustment to GB motivated in part by artificial neural networks. Specifically, our adjustment inserts a matrix multiplication between the output of a GB model and the loss, $L$. This allows the output of a GB model to have increased dimension prior to being fed into the loss and is thus ``wider'' than standard GB implementations. We call our method Wide Boosting (WB) and show that WB outperforms GB on mult-dimesional output tasks and that the embeddings generated by WB contain are more useful in downstream prediction tasks than GB output predictions alone.

We propose a symbolic representation for support vector machines (SVMs) by means of abstract interpretation, a well-known and successful technique for designing and implementing static program analyses. We leverage this abstraction in two ways: (1) to enhance the interpretability of SVMs by deriving a novel feature importance measure, called abstract feature importance (AFI), that does not depend in any way on a given dataset of the accuracy of the SVM and is very fast to compute, and (2) for verifying stability, notably individual fairness, of SVMs and producing concrete counterexamples when the verification fails. We implemented our approach and we empirically demonstrated its effectiveness on SVMs based on linear and non-linear (polynomial and radial basis function) kernels. Our experimental results show that, independently of the accuracy of the SVM, our AFI measure correlates much more strongly with the stability of the SVM to feature perturbations than feature importance measures widely available in machine learning software such as permutation feature importance. It thus gives better insight into the trustworthiness of SVMs.

Medical image segmentation is an actively studied task in medical imaging, where the precision of the annotations is of utter importance towards accurate diagnosis and treatment. In recent years, the task has been approached with various deep learning systems, among the most popular models being U-Net. In this work, we propose a novel strategy to generate ensembles of different architectures for medical image segmentation, by leveraging the diversity (decorrelation) of the models forming the ensemble. More specifically, we utilize the Dice score among model pairs to estimate the correlation between the outputs of the two models forming each pair. To promote diversity, we select models with low Dice scores among each other. We carry out gastro-intestinal tract image segmentation experiments to compare our diversity-promoting ensemble (DiPE) with another strategy to create ensembles based on selecting the top scoring U-Net models. Our empirical results show that DiPE surpasses both individual models as well as the ensemble creation strategy based on selecting the top scoring models.

Social and real-world considerations such as robustness, fairness, social welfare and multi-agent tradeoffs have given rise to multi-distribution learning paradigms, such as collaborative, group distributionally robust, and fair federated learning. In each of these settings, a learner seeks to minimize its worst-case loss over a set of $n$ predefined distributions, while using as few samples as possible. In this paper, we establish the optimal sample complexity of these learning paradigms and give algorithms that meet this sample complexity. Importantly, our sample complexity bounds exceed that of the sample complexity of learning a single distribution only by an additive factor of $n \log(n) / \epsilon^2$. These improve upon the best known sample complexity of agnostic federated learning by Mohri et al. by a multiplicative factor of $n$, the sample complexity of collaborative learning by Nguyen and Zakynthinou by a multiplicative factor $\log n / \epsilon^3$, and give the first sample complexity bounds for the group DRO objective of Sagawa et al. To achieve optimal sample complexity, our algorithms learn to sample and learn from distributions on demand. Our algorithm design and analysis is enabled by our extensions of stochastic optimization techniques for solving stochastic zero-sum games. In particular, we contribute variants of Stochastic Mirror Descent that can trade off between players' access to cheap one-off samples or more expensive reusable ones.

We study the frontier between learnable and unlearnable hidden Markov models (HMMs). HMMs are flexible tools for clustering dependent data coming from unknown populations. The model parameters are known to be fully identifiable (up to label-switching) without any modeling assumption on the distributions of the populations as soon as the clusters are distinct and the hidden chain is ergodic with a full rank transition matrix. In the limit as any one of these conditions fails, it becomes impossible in general to identify parameters. For a chain with two hidden states we prove nonasymptotic minimax upper and lower bounds, matching up to constants, which exhibit thresholds at which the parameters become learnable. We also provide an upper bound on the relative entropy rate for parameters in a neighbourhood of the unlearnable region which may have interest in itself.

Quantum machine learning is an emerging field at the intersection of machine learning and quantum computing. A central quantity for the theoretical foundation of quantum machine learning is the quantum cross entropy. In this paper, we present one operational interpretation of this quantity, that the quantum cross entropy is the compression rate for sub-optimal quantum source coding. To do so, we give a simple, universal quantum data compression protocol, which is developed based on quantum generalization of variable-length coding, as well as quantum strong typicality.

We present Perceive-Represent-Generate (PRG), a novel three-stage framework that maps perceptual information of different modalities (e.g., visual or sound), corresponding to a sequence of instructions, to an adequate sequence of movements to be executed by a robot. In the first stage, we perceive and pre-process the given inputs, isolating individual commands from the complete instruction provided by a human user. In the second stage we encode the individual commands into a multimodal latent space, employing a deep generative model. Finally, in the third stage we convert the multimodal latent values into individual trajectories and combine them into a single dynamic movement primitive, allowing its execution in a robotic platform. We evaluate our pipeline in the context of a novel robotic handwriting task, where the robot receives as input a word through different perceptual modalities (e.g., image, sound), and generates the corresponding motion trajectory to write it, creating coherent and readable handwritten words.

The new generation of state-of-the-art computer vision systems are trained from natural language supervision, ranging from simple object category names to descriptive captions. This form of supervision ensures high generality and usability of the learned visual models, due to the broad concept coverage achieved via large-scale data collection process. Alternatively, we argue that learning with external knowledge is a promising way which leverages a much more structured source of supervision and offers sample efficiency. We propose K-LITE, a simple strategy to leverage external knowledge for building transferable visual systems: In training, it enriches entities in text with WordNet and Wiktionary knowledge, leading to an efficient and scalable approach to learning image representations that uses knowledge about the visual concepts. In evaluation, the text is also augmented with external knowledge and then used to reference learned visual concepts (or describe new ones) to enable zero-shot and few-shot transfer of the pre-trained models. We study the performance of K-LITE on two important computer vision problems, image classification and object detection, benchmarking on 20 and 13 different existing datasets, respectively. The proposed knowledge-augmented models show significant improvement in transfer learning performance over existing methods. Our code is available at https://github.com/microsoft/klite.

We present our ongoing work NeuroMapper, an in-browser visualization tool that helps machine learning (ML) developers interpret the evolution of a model during training, providing a new way to monitor the training process and visually discover reasons for suboptimal training. While most existing deep neural networks (DNNs) interpretation tools are designed for already-trained model, NeuroMapper scalably visualizes the evolution of the embeddings of a model's blocks across training epochs, enabling real-time visualization of 40,000 embedded points. To promote the embedding visualizations' spatial coherence across epochs, NeuroMapper adapts AlignedUMAP, a recent nonlinear dimensionality reduction technique to align the embeddings. With NeuroMapper, users can explore the training dynamics of a Resnet-50 model, and adjust the embedding visualizations' parameters in real time. NeuroMapper is open-sourced at https://github.com/poloclub/NeuroMapper and runs in all modern web browsers. A demo of the tool in action is available at: https://poloclub.github.io/NeuroMapper/.

Reproducibility is of utmost concern in machine learning and natural language processing (NLP). In the field of natural language generation (especially machine translation), the seminal paper of Post (2018) has pointed out problems of reproducibility of the dominant metric, BLEU, at the time of publication. Nowadays, BERT-based evaluation metrics considerably outperform BLEU. In this paper, we ask whether results and claims from four recent BERT-based metrics can be reproduced. We find that reproduction of claims and results often fails because of (i) heavy undocumented preprocessing involved in the metrics, (ii) missing code and (iii) reporting weaker results for the baseline metrics. (iv) In one case, the problem stems from correlating not to human scores but to a wrong column in the csv file, inflating scores by 5 points. Motivated by the impact of preprocessing, we then conduct a second study where we examine its effects more closely (for one of the metrics). We find that preprocessing can have large effects, especially for highly inflectional languages. In this case, the effect of preprocessing may be larger than the effect of the aggregation mechanism (e.g., greedy alignment vs. Word Mover Distance).

Bootstrapping is behind much of the successes of Deep Reinforcement Learning. However, learning the value function via bootstrapping often leads to unstable training due to fast-changing target values. Target Networks are employed to stabilize training by using an additional set of lagging parameters to estimate the target values. Despite the popularity of Target Networks, their effect on the optimization is still misunderstood. In this work, we show that they act as an implicit regularizer. This regularizer has disadvantages such as being inflexible and non convex. To overcome these issues, we propose an explicit Functional Regularization that is a convex regularizer in function space and can easily be tuned. We analyze the convergence of our method theoretically and empirically demonstrate that replacing Target Networks with the more theoretically grounded Functional Regularization approach leads to better sample efficiency and performance improvements.

The deep linear network (DLN) is a model for implicit regularization in gradient based optimization of overparametrized learning architectures. Training the DLN corresponds to a Riemannian gradient flow, where the Riemannian metric is defined by the architecture of the network and the loss function is defined by the learning task. We extend this geometric framework, obtaining explicit expressions for the volume form, including the case when the network has infinite depth. We investigate the link between the Riemannian geometry and the training asymptotics for matrix completion with rigorous analysis and numerics. We propose that implicit regularization is a result of bias towards high state space volume.

In this work, we tackle two widespread challenges in real applications for time-series forecasting that have been largely understudied: distribution shifts and missing data. We propose SpectraNet, a novel multivariate time-series forecasting model that dynamically infers a latent space spectral decomposition to capture current temporal dynamics and correlations on the recent observed history. A Convolution Neural Network maps the learned representation by sequentially mixing its components and refining the output. Our proposed approach can simultaneously produce forecasts and interpolate past observations and can, therefore, greatly simplify production systems by unifying imputation and forecasting tasks into a single model. SpectraNet achieves SoTA performance simultaneously on both tasks on five benchmark datasets, compared to forecasting and imputation models, with up to 92% fewer parameters and comparable training times. On settings with up to 80% missing data, SpectraNet has average performance improvements of almost 50% over the second-best alternative. Our code is available at https://github.com/cchallu/spectranet.

Spectral detection technology, as a non-invasive method for rapid detection of substances, combined with deep learning algorithms, has been widely used in food detection. However, in real scenarios, acquiring and labeling spectral data is an extremely labor-intensive task, which makes it impossible to provide enough high-quality data for training efficient supervised deep learning models. To better leverage limited samples, we apply pre-training & fine-tuning paradigm to the field of spectral detection for the first time and propose a pre-training method of deep bidirectional transformers for spectral classification of Chinese liquors, abbreviated as Spectrum-BERT. Specifically, first, to retain the model's sensitivity to the characteristic peak position and local information of the spectral curve, we innovatively partition the curve into multiple blocks and obtain the embeddings of different blocks, as the feature input for the next calculation. Second, in the pre-training stage, we elaborately design two pre-training tasks, Next Curve Prediction (NCP) and Masked Curve Model (MCM), so that the model can effectively utilize unlabeled samples to capture the potential knowledge of spectral data, breaking the restrictions of the insufficient labeled samples, and improving the applicability and performance of the model in practical scenarios. Finally, we conduct a large number of experiments on the real liquor spectral dataset. In the comparative experiments, the proposed Spectrum-BERT significantly outperforms the baselines in multiple metrics and this advantage is more significant on the imbalanced dataset. Moreover, in the parameter sensitivity experiment, we also analyze the model performance under different parameter settings, to provide a reference for subsequent research.

Model-free learning for multi-agent stochastic games is an active area of research. Existing reinforcement learning algorithms, however, are often restricted to zero-sum games, and are applicable only in small state-action spaces or other simplified settings. Here, we develop a new data efficient Deep-Q-learning methodology for model-free learning of Nash equilibria for general-sum stochastic games. The algorithm uses a local linear-quadratic expansion of the stochastic game, which leads to analytically solvable optimal actions. The expansion is parametrized by deep neural networks to give it sufficient flexibility to learn the environment without the need to experience all state-action pairs. We study symmetry properties of the algorithm stemming from label-invariant stochastic games and as a proof of concept, apply our algorithm to learning optimal trading strategies in competitive electronic markets.

Finding multiple solutions of non-convex optimization problems is a ubiquitous yet challenging task. Most past algorithms either apply single-solution optimization methods from multiple random initial guesses or search in the vicinity of found solutions using ad hoc heuristics. We present an end-to-end method to learn the proximal operator of a family of training problems so that multiple local minima can be quickly obtained from initial guesses by iterating the learned operator, emulating the proximal-point algorithm that has fast convergence. The learned proximal operator can be further generalized to recover multiple optima for unseen problems at test time, enabling applications such as object detection. The key ingredient in our formulation is a proximal regularization term, which elevates the convexity of our training loss: by applying recent theoretical results, we show that for weakly-convex objectives with Lipschitz gradients, training of the proximal operator converges globally with a practical degree of over-parameterization. We further present an exhaustive benchmark for multi-solution optimization to demonstrate the effectiveness of our method.

Multi-channel satellite imagery, from stacked spectral bands or spatiotemporal data, have meaningful representations for various atmospheric properties. Combining these features in an effective manner to create a performant and trustworthy model is of utmost importance to forecasters. Neural networks show promise, yet suffer from unintuitive computations, fusion of high-level features, and may be limited by the quantity of available data. In this work, we leverage the scattering transform to extract high-level features without additional trainable parameters and introduce a separation scheme to bring attention to independent input channels. Experiments show promising results on estimating tropical cyclone intensity and predicting the occurrence of lightning from satellite imagery.

As input data distributions evolve, the predictive performance of machine learning models tends to deteriorate. In the past, predictive performance was considered the key indicator to monitor. However, explanation aspects have come to attention within the last years. In this work, we investigate how model predictive performance and model explanation characteristics are affected under distribution shifts and how these key indicators are related to each other for tabular data. We find that the modeling of explanation shifts can be a better indicator for the detection of predictive performance changes than state-of-the-art techniques based on representations of distribution shifts. We provide a mathematical analysis of different types of distribution shifts as well as synthetic experimental examples.

Most existing proposals about anaphoric zero pronoun (AZP) resolution regard full mention coreference and AZP resolution as two independent tasks, even though the two tasks are clearly related. The main issues that need tackling to develop a joint model for zero and non-zero mentions are the difference between the two types of arguments (zero pronouns, being null, provide no nominal information) and the lack of annotated datasets of a suitable size in which both types of arguments are annotated for languages other than Chinese and Japanese. In this paper, we introduce two architectures for jointly resolving AZPs and non-AZPs, and evaluate them on Arabic, a language for which, as far as we know, there has been no prior work on joint resolution. Doing this also required creating a new version of the Arabic subset of the standard coreference resolution dataset used for the CoNLL-2012 shared task (Pradhan et al.,2012) in which both zeros and non-zeros are included in a single dataset.

GraphNeT is an open-source python framework aimed at providing high quality, user friendly, end-to-end functionality to perform reconstruction tasks at neutrino telescopes using graph neural networks (GNNs). GraphNeT makes it fast and easy to train complex models that can provide event reconstruction with state-of-the-art performance, for arbitrary detector configurations, with inference times that are orders of magnitude faster than traditional reconstruction techniques. GNNs from GraphNeT are flexible enough to be applied to data from all neutrino telescopes, including future projects such as IceCube extensions or P-ONE. This means that GNN-based reconstruction can be used to provide state-of-the-art performance on most reconstruction tasks in neutrino telescopes, at real-time event rates, across experiments and physics analyses, with vast potential impact for neutrino and astro-particle physics.

Adversarial Examples Detection (AED) is a crucial defense technique against adversarial attacks and has drawn increasing attention from the Natural Language Processing (NLP) community. Despite the surge of new AED methods, our studies show that existing methods heavily rely on a shortcut to achieve good performance. In other words, current search-based adversarial attacks in NLP stop once model predictions change, and thus most adversarial examples generated by those attacks are located near model decision boundaries. To surpass this shortcut and fairly evaluate AED methods, we propose to test AED methods with \textbf{F}ar \textbf{B}oundary (\textbf{FB}) adversarial examples. Existing methods show worse than random guess performance under this scenario. To overcome this limitation, we propose a new technique, \textbf{ADDMU}, \textbf{a}dversary \textbf{d}etection with \textbf{d}ata and \textbf{m}odel \textbf{u}ncertainty, which combines two types of uncertainty estimation for both regular and FB adversarial example detection. Our new method outperforms previous methods by 3.6 and 6.0 \emph{AUC} points under each scenario. Finally, our analysis shows that the two types of uncertainty provided by \textbf{ADDMU} can be leveraged to characterize adversarial examples and identify the ones that contribute most to model's robustness in adversarial training.

We conduct a large empirical evaluation to investigate the landscape of distributional robustness in question answering. Our investigation spans over 350 models and 16 question answering datasets, including a diverse set of architectures, model sizes, and adaptation methods (e.g., fine-tuning, adapter tuning, in-context learning, etc.). We find that, in many cases, model variations do not affect robustness and in-distribution performance alone determines out-of-distribution performance. Moreover, our findings indicate that i) zero-shot and in-context learning methods are more robust to distribution shifts than fully fine-tuned models; ii) few-shot prompt fine-tuned models exhibit better robustness than few-shot fine-tuned span prediction models; iii) parameter-efficient and robustness enhancing training methods provide no significant robustness improvements. In addition, we publicly release all evaluations to encourage researchers to further analyze robustness trends for question answering models.

We consider energy-dispersive X-ray Fluorescence (EDXRF) applications where the fundamental parameters method is impractical such as when instrument parameters are unavailable. For example, on a mining shovel or conveyor belt, rocks are constantly moving (leading to varying angles of incidence and distances) and there may be other factors not accounted for (like dust). Neural networks do not require instrument and fundamental parameters but training neural networks requires XRF spectra labelled with elemental composition, which is often limited because of its expense. We develop a neural network model that learns from limited labelled data and learns to invert a forward model. The forward model uses transition energies and probabilities of all elements and parameterized distributions to approximate other fundamental and instrument parameters. We evaluate the model and baseline models on a rock dataset from a lithium mine and identify which elements are appropriate for this method. This model demonstrates the potential to calibrate a neural network in a noisy environment where labelled data is limited.

Spectrogram is commonly used as the input feature of deep neural networks to learn the high(er)-level time-frequency pattern of speech signal for speech emotion recognition (SER). \textcolor{black}{Generally, different emotions correspond to specific energy activations both within frequency bands and time frames on spectrogram, which indicates the frequency and time domains are both essential to represent the emotion for SER. However, recent spectrogram-based works mainly focus on modeling the long-term dependency in time domain, leading to these methods encountering the following two issues: (1) neglecting to model the emotion-related correlations within frequency domain during the time-frequency joint learning; (2) ignoring to capture the specific frequency bands associated with emotions.} To cope with the issues, we propose an attentive time-frequency neural network (ATFNN) for SER, including a time-frequency neural network (TFNN) and time-frequency attention. Specifically, aiming at the first issue, we design a TFNN with a frequency-domain encoder (F-Encoder) based on the Transformer encoder and a time-domain encoder (T-Encoder) based on the Bidirectional Long Short-Term Memory (Bi-LSTM). The F-Encoder and T-Encoder model the correlations within frequency bands and time frames, respectively, and they are embedded into a time-frequency joint learning strategy to obtain the time-frequency patterns for speech emotions. Moreover, to handle the second issue, we also adopt time-frequency attention with a frequency-attention network (F-Attention) and a time-attention network (T-Attention) to focus on the emotion-related frequency band ranges and time frame ranges, which can enhance the discriminability of speech emotion features.

While large language models (LLMs) like GPT-3 have achieved impressive results on multiple choice question answering (MCQA) tasks in the zero, one, and few-shot settings, they generally lag behind the MCQA state of the art (SOTA). MCQA tasks have traditionally been presented to LLMs like cloze tasks. An LLM is conditioned on a question (without the associated answer options) and its chosen option is the one assigned the highest probability after normalization (for length, etc.). A more natural prompting approach is to present the question and answer options to the LLM jointly and have it output the symbol (e.g., "A") associated with its chosen answer option. This approach allows the model to explicitly compare answer options, reduces computational costs, and mitigates the effects of tokenization scheme and answer option representations on answer selection. For the natural approach to be effective the LLM it is used with must be able to associate answer options with the symbols that represent them. The LLM needs what we term multiple choice symbol binding (MCSB) ability. This ability varies greatly by model. We show that a model with high MCSB ability performs much better with the natural approach than with the traditional approach across 20 diverse datasets and largely closes the gap with the SOTA, suggesting that the MCQA ability of LLMs has been previously underestimated.

Despite the success of automated machine learning (AutoML), which aims to find the best design, including the architecture of deep networks and hyper-parameters, conventional AutoML methods are computationally expensive and hardly provide insights into the relations of different model design choices. To tackle the challenges, we propose FALCON, an efficient sample-based method to search for the optimal model design. Our key insight is to model the design space of possible model designs as a design graph, where the nodes represent design choices, and the edges denote design similarities. FALCON features 1) a task-agnostic module, which performs message passing on the design graph via a Graph Neural Network (GNN), and 2) a task-specific module, which conducts label propagation of the known model performance information on the design graph. Both modules are combined to predict the design performances in the design space, navigating the search direction. We conduct extensive experiments on 27 node and graph classification tasks from various application domains, and an image classification task on the CIFAR-10 dataset. We empirically show that FALCON can efficiently obtain the well-performing designs for each task using only 30 explored nodes. Specifically, FALCON has a comparable time cost with the one-shot approaches while achieving an average improvement of 3.3% compared with the best baselines.

How much explicit guidance is necessary for conditional diffusion? We consider the problem of conditional sampling using an unconditional diffusion model and limited explicit guidance (e.g., a noised classifier, or a conditional diffusion model) that is restricted to a small number of time steps. We explore a model predictive control (MPC)-like approach to approximate guidance by simulating unconditional diffusion forward, and backpropagating explicit guidance feedback. MPC-approximated guides have high cosine similarity to real guides, even over large simulation distances. Adding MPC steps improves generative quality when explicit guidance is limited to five time steps.

To ensure reliability, power transformers are monitored for partial discharge (PD) events, which are symptoms of transformer failure. Since failures can have catastrophic cascading consequences, it is critical to preempt them as early as possible. Our goal is to classify PDs as corona, floating, particle, or void, to gain an understanding of the failure location. Using phase resolved PD signal data, we create a small set of features, which can be used to classify PDs with high accuracy. This set of features consists of the total magnitude, the maximum magnitude, and the length of the longest empty band. These features represent the entire signal and not just a single phase, so the feature set has a fixed size and is easily comprehensible. With both Random Forest and SVM classification methods, we attain a 99% classification accuracy, which is significantly higher than classification using phase based feature sets such as phase magnitude. Furthermore, we develop a stacking ensemble to combine several classification models, resulting in a superior model that outperforms existing methods in both accuracy and variance.

Generative adversarial network (GAN) continues to be a popular research direction due to its high generation quality. It is observed that many state-of-the-art GANs generate samples that are more similar to the training set than a holdout testing set from the same distribution, hinting some training samples are implicitly memorized in these models. This memorization behavior is unfavorable in many applications that demand the generated samples to be sufficiently distinct from known samples. Nevertheless, it is unclear whether it is possible to reduce memorization without compromising the generation quality. In this paper, we propose memorization rejection, a training scheme that rejects generated samples that are near-duplicates of training samples during training. Our scheme is simple, generic and can be directly applied to any GAN architecture. Experiments on multiple datasets and GAN models validate that memorization rejection effectively reduces training sample memorization, and in many cases does not sacrifice the generation quality. Code to reproduce the experiment results can be found at $\texttt{https://github.com/jybai/MRGAN}$.

We introduce the Text Classification Attack Benchmark (TCAB), a dataset for analyzing, understanding, detecting, and labeling adversarial attacks against text classifiers. TCAB includes 1.5 million attack instances, generated by twelve adversarial attacks targeting three classifiers trained on six source datasets for sentiment analysis and abuse detection in English. Unlike standard text classification, text attacks must be understood in the context of the target classifier that is being attacked, and thus features of the target classifier are important as well. TCAB includes all attack instances that are successful in flipping the predicted label; a subset of the attacks are also labeled by human annotators to determine how frequently the primary semantics are preserved. The process of generating attacks is automated, so that TCAB can easily be extended to incorporate new text attacks and better classifiers as they are developed. In addition to the primary tasks of detecting and labeling attacks, TCAB can also be used for attack localization, attack target labeling, and attack characterization. TCAB code and dataset are available at https://react-nlp.github.io/tcab/.

Optimal transport provides a metric which quantifies the dissimilarity between probability measures. For measures supported in discrete metric spaces, finding optimal transport distance has cubic time complexity in the size of the space. However, measures supported on trees admit a closed-form optimal transport which can be computed in linear time. In this paper, we aim to find an optimal tree structure for a given discrete metric space, so that the tree-Wasserstein distance can best approximate the optimal transport distance in the original space. One of our key ideas is to cast the problem in ultrametric spaces. This helps define different tree structures and allows us to optimize the tree structure via projected gradient decent over space of ultrametric matrices. During optimization, we project the parameters to the ultrametric space via a hierarchical minimum spanning tree algorithm. Experimental results on real datasets show that our approach outperforms previous approaches in approximating optimal transport distances. Finally, experiments on synthetic data generated on ground truth trees show that our algorithm can accurately uncover the underlying tree metrics.

In this short note we derive a relationship between the Bregman divergence from the current policy to the optimal policy and the suboptimality of the current value function in a regularized Markov decision process. This result has implications for multi-task reinforcement learning, offline reinforcement learning, and regret analysis under function approximation, among others.

Web and artificial intelligence technologies, especially semantic web and knowledge graph (KG), have recently raised significant attention in educational scenarios. Nevertheless, subject-specific KGs for K-12 education still lack sufficiency and sustainability from knowledge and data perspectives. To tackle these issues, we propose EDUKG, a heterogeneous sustainable K-12 Educational Knowledge Graph. We first design an interdisciplinary and fine-grained ontology for uniformly modeling knowledge and resource in K-12 education, where we define 635 classes, 445 object properties, and 1314 datatype properties in total. Guided by this ontology, we propose a flexible methodology for interactively extracting factual knowledge from textbooks. Furthermore, we establish a general mechanism based on our proposed generalized entity linking system for EDUKG's sustainable maintenance, which can dynamically index numerous heterogeneous resources and data with knowledge topics in EDUKG. We further evaluate EDUKG to illustrate its sufficiency, richness, and variability. We publish EDUKG with more than 252 million entities and 3.86 billion triplets. Our code and data repository is now available at https://github.com/THU-KEG/EDUKG.

Reliably estimating the uncertainty of a prediction throughout the model lifecycle is crucial in many safety-critical applications. The most common way to measure this uncertainty is via the predicted confidence. While this tends to work well for in-domain samples, these estimates are unreliable under domain drift. Alternatively, a bias-variance decomposition allows to directly measure the predictive uncertainty across the entire input space. But, such a decomposition for proper scores does not exist in current literature, and for exponential families it is convoluted. In this work, we introduce a general bias-variance decomposition for proper scores and reformulate the exponential family case, giving rise to the Bregman Information as the variance term in both cases. This allows us to prove that the Bregman Information for classification measures the uncertainty in the logit space. We showcase the practical relevance of this decomposition on two downstream tasks. First, we show how to construct confidence intervals for predictions on the instance-level based on the Bregman Information. Second, we demonstrate how different approximations of the instance-level Bregman Information allow reliable out-of-distribution detection for all degrees of domain drift.

Understanding genetic variation, e.g., through mutations, in organisms is crucial to unravel their effects on the environment and human health. A fundamental characterization can be obtained by solving the haplotype assembly problem, which yields the variation across multiple copies of chromosomes. Variations among fast evolving viruses that lead to different strains (called quasispecies) are also deciphered with similar approaches. In both these cases, high-throughput sequencing technologies that provide oversampled mixtures of large noisy fragments (reads) of genomes, are used to infer constituent components (haplotypes or quasispecies). The problem is harder for polyploid species where there are more than two copies of chromosomes. State-of-the-art neural approaches to solve this NP-hard problem do not adequately model relations among the reads that are important for deconvolving the input signal. We address this problem by developing a new method, called NeurHap, that combines graph representation learning with combinatorial optimization. Our experiments demonstrate substantially better performance of NeurHap in real and synthetic datasets compared to competing approaches.

Offline Reinforcement Learning (RL) via Supervised Learning is a simple and effective way to learn robotic skills from a dataset collected by policies of different expertise levels. It is as simple as supervised learning and Behavior Cloning (BC), but takes advantage of return information. On datasets collected by policies of similar expertise, implicit BC has been shown to match or outperform explicit BC. Despite the benefits of using implicit models to learn robotic skills via BC, offline RL via Supervised Learning algorithms have been limited to explicit models. We show how implicit models can leverage return information and match or outperform explicit algorithms to acquire robotic skills from fixed datasets. Furthermore, we show the close relationship between our implicit methods and other popular RL via Supervised Learning algorithms to provide a unified framework. Finally, we demonstrate the effectiveness of our method on high-dimension manipulation and locomotion tasks.

A highly accurate but overconfident model is ill-suited for deployment in critical applications such as healthcare and autonomous driving. The classification outcome should reflect a high uncertainty on ambiguous in-distribution samples that lie close to the decision boundary. The model should also refrain from making overconfident decisions on samples that lie far outside its training distribution, far-out-of-distribution (far-OOD), or on unseen samples from novel classes that lie near its training distribution (near-OOD). This paper proposes an application of counterfactual explanations in fixing an over-confident classifier. Specifically, we propose to fine-tune a given pre-trained classifier using augmentations from a counterfactual explainer (ACE) to fix its uncertainty characteristics while retaining its predictive performance. We perform extensive experiments with detecting far-OOD, near-OOD, and ambiguous samples. Our empirical results show that the revised model have improved uncertainty measures, and its performance is competitive to the state-of-the-art methods.

Improving our understanding of how information is encoded in vector space can yield valuable interpretability insights. Alongside vector dimensions, we argue that it is possible for the vector norm to also carry linguistic information. We develop a method to test this: an extension of the probing framework which allows for relative intrinsic interpretations of probing results. It relies on introducing noise that ablates information encoded in embeddings, grounded in random baselines and confidence intervals. We apply the method to well-established probing tasks and find evidence that confirms the existence of separate information containers in English GloVe and BERT embeddings. Our correlation analysis aligns with the experimental findings that different encoders use the norm to encode different kinds of information: GloVe stores syntactic and sentence length information in the vector norm, while BERT uses it to encode contextual incongruity.

The ability to direct a Probabilistic Boolean Network (PBN) to a desired state is important to applications such as targeted therapeutics in cancer biology. Reinforcement Learning (RL) has been proposed as a framework that solves a discrete-time optimal control problem cast as a Markov Decision Process. We focus on an integrative framework powered by a model-free deep RL method that can address different flavours of the control problem (e.g., with or without control inputs; attractor state or a subset of the state space as the target domain). The method is agnostic to the distribution of probabilities for the next state, hence it does not use the probability transition matrix. The time complexity is linear on the time steps, or interactions between the agent (deep RL) and the environment (PBN), during training. Indeed, we explore the scalability of the deep RL approach to (set) stabilization of large-scale PBNs and demonstrate successful control on large networks, including a metastatic melanoma PBN with 200 nodes.

One key challenge for multi-task Reinforcement learning (RL) in practice is the absence of task indicators. Robust RL has been applied to deal with task ambiguity, but may result in over-conservative policies. To balance the worst-case (robustness) and average performance, we propose Group Distributionally Robust Markov Decision Process (GDR-MDP), a flexible hierarchical MDP formulation that encodes task groups via a latent mixture model. GDR-MDP identifies the optimal policy that maximizes the expected return under the worst-possible qualified belief over task groups within an ambiguity set. We rigorously show that GDR-MDP's hierarchical structure improves distributional robustness by adding regularization to the worst possible outcomes. We then develop deep RL algorithms for GDR-MDP for both value-based and policy-based RL methods. Extensive experiments on Box2D control tasks, MuJoCo benchmarks, and Google football platforms show that our algorithms outperform classic robust training algorithms across diverse environments in terms of robustness under belief uncertainties. Demos are available on our project page (\url{https://sites.google.com/view/gdr-rl/home}).

Early evaluation of patients who require special care and high death expectancy in COVID-19 and effective determination of relevant biomarkers on large sample groups are important to reduce mortality. This study aimed to reveal the routine blood value predictors of COVID-19 mortality and to determine the lethal risk levels of these predictors during the disease process. The dataset of the study consists of 38 routine blood values of 2597 patients who died (n = 233) and recovered (n = 2364) from COVID-19 in August-December, 2021. In this study, histogram-based gradient boosting (HGB) model was the most successful mashine learning classifier in detecting living and deceased COVID-19 patients (with squared F1 metrics F1^2 = 1). The most efficient binary combinations with procalcitonin were obtained with D-dimer, ESR, D.Bil and ferritin. The HGB model operated with these couples correctly detected almost all of the patients who survived and died. (precision > 0.98, recall > 0.98, F1^2 > 0.98). Furthermore, in the HGB model operated with a single feature, the most efficient features were Procalcitonin (F1^2 = 0.96) and ferritin (F1^2 = 0.91). In addition, according to the two-threshold approach ferritin values between 376.2 mkg/L and 396.0 mkg/L (F1^2 = 0.91) and procalcitonin values between 0.2 mkg/L and 5.2 mkg/L (F1^2 = 0.95) were found to be fatal risk levels for COVID-19. Considering all the results, we suggest that many features combined with these features, especially procalcitonin and ferritin, operated with the HGB model, can be used to achieve very successful results in the classification of those who live and die from COVID-19.Moreover, we strongly recommend that clinicians consider the critical levels we have found for procalcitonin and ferritin properties to reduce the lethality of COVID-19 disease.

We propose performing imbalanced classification by regrouping majority classes into small classes so that we turn the problem into balanced multiclass classification. This new idea is dramatically different from popular loss reweighting and class resampling methods. Our preliminary result on imbalanced medical image classification shows that this natural idea can substantially boost the classification performance as measured by average precision (approximately area-under-the-precision-recall-curve, or AUPRC), which is more appropriate for evaluating imbalanced classification than other metrics such as balanced accuracy.

Given well-shuffled data, can we determine whether the data items are statistically (in)dependent? Formally, we consider the problem of testing whether a set of exchangeable random variables are independent. We will show that this is possible and develop tests that can confidently reject the null hypothesis that data is independent and identically distributed and have high power for (some) exchangeable distributions. We will make no structural assumptions on the underlying sample space. One potential application is in Deep Learning, where data is often scraped from the whole internet, with duplications abound, which can render data non-iid and test-set evaluation prone to give wrong answers.

Graph-based fraud detection has heretofore received considerable attention. Owning to the great success of Graph Neural Networks (GNNs), many approaches adopting GNNs for fraud detection has been gaining momentum. However, most existing methods are based on the strong inductive bias of homophily, which indicates that the context neighbors tend to have same labels or similar features. In real scenarios, fraudsters often engage in camouflage behaviors in order to avoid detection system. Therefore, the homophilic assumption no longer holds, which is known as the inconsistency problem. In this paper, we argue that the performance degradation is mainly attributed to the inconsistency between topology and attribute. To address this problem, we propose to disentangle the fraud network into two views, each corresponding to topology and attribute respectively. Then we propose a simple and effective method that uses the attention mechanism to adaptively fuse two views which captures data-specific preference. In addition, we further improve it by introducing mutual information constraints for topology and attribute. To this end, we propose a Disentangled Information Graph Neural Network (DIGNN) model, which utilizes variational bounds to find an approximate solution to our proposed optimization objective function. Extensive experiments demonstrate that our model can significantly outperform stateof-the-art baselines on real-world fraud detection datasets.

Deep neural networks (DNNs) are typically optimized using various forms of mini-batch gradient descent algorithm. A major motivation for mini-batch gradient descent is that with a suitably chosen batch size, available computing resources can be optimally utilized (including parallelization) for fast model training. However, many works report the progressive loss of model generalization when the training batch size is increased beyond some limits. This is a scenario commonly referred to as generalization gap. Although several works have proposed different methods for alleviating the generalization gap problem, a unanimous account for understanding generalization gap is still lacking in the literature. This is especially important given that recent works have observed that several proposed solutions for generalization gap problem such learning rate scaling and increased training budget do not indeed resolve it. As such, our main exposition in this paper is to investigate and provide new perspectives for the source of generalization loss for DNNs trained with a large batch size. Our analysis suggests that large training batch size results in increased near-rank loss of units' activation (i.e. output) tensors, which consequently impacts model optimization and generalization. Extensive experiments are performed for validation on popular DNN models such as VGG-16, residual network (ResNet-56) and LeNet-5 using CIFAR-10, CIFAR-100, Fashion-MNIST and MNIST datasets.

Code search, which aims at retrieving the most relevant code fragment for a given natural language query, is a common activity in software development practice. Recently, contrastive learning is widely used in code search research, where many data augmentation approaches for source code (e.g., semantic-preserving program transformation) are proposed to learn better representations. However, these augmentations are at the raw-data level, which requires additional code analysis in the preprocessing stage and additional training costs in the training stage. In this paper, we explore augmentation methods that augment data (both code and query) at representation level which does not require additional data processing and training, and based on this we propose a general format of representation-level augmentation that unifies existing methods. Then, we propose three new augmentation methods (linear extrapolation, binary interpolation, and Gaussian scaling) based on the general format. Furthermore, we theoretically analyze the advantages of the proposed augmentation methods over traditional contrastive learning methods on code search. We experimentally evaluate the proposed representation-level augmentation methods with state-of-the-art code search models on a large-scale public dataset consisting of six programming languages. The experimental results show that our approach can consistently boost the performance of the studied code search models. Our source code is available at https://github.com/Alex-HaochenLi/RACS.

Image completion is a task that aims to fill in the missing region of a masked image with plausible contents.However, existing image completion methods tend to fill in the missing region with the surrounding texture instead of hallucinating a visual instance that is suitable in accordance with the context of the scene. In this work, we propose a novel image completion model, dubbed Refill, that hallucinates the missing instance that harmonizes well with - and thus preserves - the original context. Refill first adopts a transformer architecture that considers the types, locations of the visible instances, and the location of the missing region. Then, Refill completes the missing foreground and background semantic segmentation masks within the missing region, providing pixel-level semantic and structural guidance to generate missing contents with seamless boundaries. Finally, we condition the image synthesis blocks of Refill using the completed segmentation mask to generate photo-realistic contents to fill out the missing region. Experimental results show the superiority of Refill over state-of-the-art image completion approaches on various natural images.

We study the problem of multi-task non-smooth optimization that arises ubiquitously in statistical learning, decision-making and risk management. We develop a data fusion approach that adaptively leverages commonalities among a large number of objectives to improve sample efficiency while tackling their unknown heterogeneities. We provide sharp statistical guarantees for our approach. Numerical experiments on both synthetic and real data demonstrate significant advantages of our approach over benchmarks.  ( 2 min )

This study presents a novel unsupervised convolutional Neural Network (NN) architecture with nonlocal interactions for solving Partial Differential Equations (PDEs). The nonlocal Peridynamic Differential Operator (PDDO) is employed as a convolutional filter for evaluating derivatives the field variable. The NN captures the time-dynamics in smaller latent space through encoder-decoder layers with a Convolutional Long-short Term Memory (ConvLSTM) layer between them. The ConvLSTM architecture is modified by employing a novel activation function to improve the predictive capability of the learning architecture for physics with periodic behavior. The physics is invoked in the form of governing equations at the output of the NN and in the latent (reduced) space. By considering a few benchmark PDEs, we demonstrate the training performance and extrapolation capability of this novel NN architecture by comparing against Physics Informed Neural Networks (PINN) type solvers. It is more capable of extrapolating the solution for future timesteps than the other existing architectures.

In the past decade, we have observed a growing interest in using technologies such as artificial intelligence (AI), machine learning, and chatbots to provide assistance to language learners, especially in second language learning. By using AI and natural language processing (NLP) and chatbots, we can create an intelligent self-learning environment that goes beyond multiple-choice questions and/or fill in the blank exercises. In addition, NLP allows for learning to be adaptive in that it offers more than an indication that an error has occurred. It also provides a description of the error, uses linguistic analysis to isolate the source of the error, and then suggests additional drills to achieve optimal individualized learning outcomes. In this paper, we present our approach for developing an Artificial Intelligence-based Arabic Language and Speech Tutor (AI-ALST) for teaching the Moroccan Arabic dialect. The AI-ALST system is an intelligent tutor that provides analysis and assessment of students learning the Moroccan dialect at University of Arizona (UA). The AI-ALST provides a self-learned environment to practice each lesson for pronunciation training. In this paper, we present our initial experimental evaluation of the AI-ALST that is based on MFCC (Mel frequency cepstrum coefficient) feature extraction, bidirectional LSTM (Long Short-Term Memory), attention mechanism, and a cost-based strategy for dealing with class-imbalance learning. We evaluated our tutor on the word pronunciation of lesson 1 of the Moroccan Arabic dialect class. The experimental results show that the AI-ALST can effectively and successfully detect pronunciation errors and evaluate its performance by using F_1-score, accuracy, precision, and recall.

In human dialogue, a single query may elicit numerous appropriate responses. The Transformer-based dialogue model produces frequently occurring sentences in the corpus since it is a one-to-one mapping function. CVAE is a technique for reducing generic replies. In this paper, we create a new dialogue model (CVAE-T) based on the Transformer with CVAE structure. We use a pre-trained MLM model to rewrite some key n-grams in responses to obtain a series of negative examples, and introduce a regularization term during training to explicitly guide the latent variable in learning the semantic differences between each pair of positive and negative examples. Experiments suggest that the method we design is capable of producing more informative replies.

We present a method for learning 3D geometry and physics parameters of a dynamic scene from only a monocular RGB video input. To decouple the learning of underlying scene geometry from dynamic motion, we represent the scene as a time-invariant signed distance function (SDF) which serves as a reference frame, along with a time-conditioned deformation field. We further bridge this neural geometry representation with a differentiable physics simulator by designing a two-way conversion between the neural field and its corresponding hexahedral mesh, enabling us to estimate physics parameters from the source video by minimizing a cycle consistency loss. Our method also allows a user to interactively edit 3D objects from the source video by modifying the recovered hexahedral mesh, and propagating the operation back to the neural field representation. Experiments show that our method achieves superior mesh and video reconstruction of dynamic scenes compared to competing Neural Field approaches, and we provide extensive examples which demonstrate its ability to extract useful 3D representations from videos captured with consumer-grade cameras.  ( 2 min )

This paper asks the intriguing question: is it possible to exploit neural architecture search (NAS) as a new attack vector to launch previously improbable attacks? Specifically, we present EVAS, a new attack that leverages NAS to find neural architectures with inherent backdoors and exploits such vulnerability using input-aware triggers. Compared with existing attacks, EVAS demonstrates many interesting properties: (i) it does not require polluting training data or perturbing model parameters; (ii) it is agnostic to downstream fine-tuning or even re-training from scratch; (iii) it naturally evades defenses that rely on inspecting model parameters or training data. With extensive evaluation on benchmark datasets, we show that EVAS features high evasiveness, transferability, and robustness, thereby expanding the adversary's design spectrum. We further characterize the mechanisms underlying EVAS, which are possibly explainable by architecture-level ``shortcuts'' that recognize trigger patterns. This work raises concerns about the current practice of NAS and points to potential directions to develop effective countermeasures.

We introduce an ODE solver for the PyTorch ecosystem that can solve multiple ODEs in parallel independently from each other while achieving significant performance gains. Our implementation tracks each ODE's progress separately and is carefully optimized for GPUs and compatibility with PyTorch's JIT compiler. Its design lets researchers easily augment any aspect of the solver and collect and analyze internal solver statistics. In our experiments, our implementation is up to 4.3 times faster per step than other ODE solvers and it is robust against within-batch interactions that lead other solvers to take up to 4 times as many steps.

In this work, the generalized broken soliton-like (gBS-like) equation is derived through the generalized bilinear method. The neural network model, which can fit the explicit solution with zero error, is found. The interference wave solution of the gBS-like equation is obtained by using the bilinear neural network method (BNNM) and physical informed neural networks (PINNs). Interference waves are shown well via three-dimensional plots and density plots. Compared with PINNs, the bilinear neural network method is not only more accurate but also faster.

Many artificial intelligence (AI) devices have been developed to accelerate the training and inference of neural networks models. The most common ones are the Graphics Processing Unit (GPU) and Tensor Processing Unit (TPU). They are highly optimized for dense data representations. However, sparse representations such as graphs are prevalent in many domains, including science. It is therefore important to characterize the performance of available AI accelerators on sparse data. This work analyzes and compares the GPU and TPU performance training a Graph Neural Network (GNN) developed to solve a real-life pattern recognition problem. Characterizing the new class of models acting on sparse data may prove helpful in optimizing the design of deep learning libraries and future AI accelerators.

The best way to model, understand, and quantify the information contained in complex systems is an open question in physics, mathematics, and computer science. The uncertain relationship between entropy and complexity further complicates this question. With ideas drawn from the object-relations theory of psychology, this paper develops an object-relations model of complex systems which generalizes to systems of all types, including mathematical operations, machines, biological organisms, and social structures. The resulting Complex Information Entropy (CIE) equation is a robust method to quantify complexity across various contexts. The paper also describes algorithms to iteratively update and improve approximate solutions to the CIE equation, to recursively infer the composition of complex systems, and to discover the connections among objects across different lengthscales and timescales. Applications are discussed in the fields of engineering design, atomic and molecular physics, chemistry, materials science, neuroscience, psychology, sociology, ecology, economics, and medicine.  ( 2 min )

Conversational understanding is an integral part of modern intelligent devices. In a large fraction of the global traffic from customers using smart digital assistants, frictions in dialogues may be attributed to incorrect understanding of the entities in a customer's query due to factors including ambiguous mentions, mispronunciation, background noise and faulty on-device signal processing. Such errors are compounded by two common deficiencies from intelligent devices namely, (1) the device not being tailored to individual customers, and (2) the device responses being unaware of the context in the conversation session. Viewing this problem via the lens of retrieval-based search engines, we build and evaluate a scalable entity correction system, PENTATRON. The system leverages a parametric transformer-based language model to learn patterns from in-session customer-device interactions coupled with a non-parametric personalized entity index to compute the correct query, which aids downstream components in reasoning about the best response. In addition to establishing baselines and demonstrating the value of personalized and context-aware systems, we use multitasking to learn the domain of the correct entity. We also investigate the utility of language model prompts. Through extensive experiments, we show a significant upward movement of the key metric (Exact Match) by up to 500.97% (relative to the baseline).

User engagement prediction plays a critical role for designing interaction strategies to grow user engagement and increase revenue in online social platforms. Through the in-depth analysis of the real-world data from the world's largest professional social platforms, i.e., LinkedIn, we find that users expose diverse engagement patterns, and a major reason for the differences in user engagement patterns is that users have different intents. That is, people have different intents when using LinkedIn, e.g., applying for jobs, building connections, or checking notifications, which shows quite different engagement patterns. Meanwhile, user intents and the corresponding engagement patterns may change over time. Although such pattern differences and dynamics are essential for user engagement prediction, differentiating user engagement patterns based on user dynamic intents for better user engagement forecasting has not received enough attention in previous works. In this paper, we proposed a Dynamic Intent Guided Meta Network (DIGMN), which can explicitly model user intent varying with time and perform differentiated user engagement forecasting. Specifically, we derive some interpretable basic user intents as prior knowledge from data mining and introduce prior intents in explicitly modeling dynamic user intent. Furthermore, based on the dynamic user intent representations, we propose a meta predictor to perform differentiated user engagement forecasting. Through a comprehensive evaluation on LinkedIn anonymous user data, our method outperforms state-of-the-art baselines significantly, i.e., 2.96% and 3.48% absolute error reduction, on coarse-grained and fine-grained user engagement prediction tasks, respectively, demonstrating the effectiveness of our method.

Spanning tree problems with special constraints are widely applied in real-life scenarios, such as water supply, transportation and telecommunications, which often require complex algorithm design and exponential time to solve. In recent years, there has been a surge of interest in end-to-end Deep Neural Networks (DNNs) to solve routing problems. However, as the output of such methods is a sequence of vertices, it is difficult to apply them to combinatorial optimization problems where the solution set consists of a edges sets, such as various spanning tree problems. In this paper, we propose NeuroPrim, a novel framework combining neural networks and the Prim algorithm, which is trained by REINFORCE with the POMO baseline to learn metrics for selecting edges for different spanning tree problems. We apply it to three difficult problems on Euclidean spaces, namely Degree-constrained Minimum Spanning Tree Problem (DCMSTP), Minimum Routing Cost Spanning Tree Problem (MRCSTP) and Steiner Tree Problem in Graphs (STPG). Experimental results show that our model is able to outperform some of the heuristics and obtain extremely small gaps of less than $0.1\%$ for simple problems such as DCMST with degree constraint $3$ and special cases of STPG up to 100 vertices. In addition, we find no significant degradation on problem instances as large as 1000, which demonstrates its strong generalization ability.

Continual reinforcement learning (RL) aims to learn a sequence of tasks while retaining the capability to solve seen tasks and growing a new policy to solve novel tasks. Existing continual RL methods ignore that some tasks are equivalent under simple group operations, such as rotations or translations. They thus extend a new policy for each equivalent task and train the policy from scratch, resulting in poor sample complexity and generalization capability. In this work, we propose a novel continual RL framework with group symmetries, which grows a policy for each group of equivalent tasks instead of a single task. We introduce a PPO-based RL algorithm with an invariant feature extractor and a novel task grouping mechanism based on invariant features. We test our algorithm in realistic autonomous driving scenarios, where each group is associated with a map configuration. We show that our algorithm assigns tasks to different groups with high accuracy and outperforms baselines in terms of generalization capability by a large margin.

Modeling interaction dynamics to generate robot trajectories that enable a robot to adapt and react to a human's actions and intentions is critical for efficient and effective collaborative Human-Robot Interactions (HRI). Learning from Demonstration (LfD) methods from Human-Human Interactions (HHI) have shown promising results, especially when coupled with representation learning techniques. However, such methods for learning HRI either do not scale well to high dimensional data or cannot accurately adapt to changing via-poses of the interacting partner. We propose Multimodal Interactive Latent Dynamics (MILD), a method that couples deep representation learning and probabilistic machine learning to address the problem of two-party physical HRIs. We learn the interaction dynamics from demonstrations, using Hidden Semi-Markov Models (HSMMs) to model the joint distribution of the interacting agents in the latent space of a Variational Autoencoder (VAE). Our experimental evaluations for learning HRI from HHI demonstrations show that MILD effectively captures the multimodality in the latent representations of HRI tasks, allowing us to decode the varying dynamics occurring in such tasks. Compared to related work, MILD generates more accurate trajectories for the controlled agent (robot) when conditioned on the observed agent's (human) trajectory. Notably, MILD can learn directly from camera-based pose estimations to generate trajectories, which we then map to a humanoid robot without the need for any additional training.  ( 2 min )

Stochastic versions of proximal methods have gained much attention in statistics and machine learning. These algorithms tend to admit simple, scalable forms, and enjoy numerical stability via implicit updates. In this work, we propose and analyze a stochastic version of the recently proposed proximal distance algorithm, a class of iterative optimization methods that recover a desired constrained estimation problem as a penalty parameter $\rho \rightarrow \infty$. By uncovering connections to related stochastic proximal methods and interpreting the penalty parameter as the learning rate, we justify heuristics used in practical manifestations of the proximal distance method, establishing their convergence guarantees for the first time. Moreover, we extend recent theoretical devices to establish finite error bounds and a complete characterization of convergence rates regimes. We validate our analysis via a thorough empirical study, also showing that unsurprisingly, the proposed method outpaces batch versions on popular learning tasks.

We consider the problem of performing Bayesian inference in probabilistic models where observations are accompanied by uncertainty, referred to as `uncertain evidence'. In many real-world scenarios, such uncertainty stems from measurement errors associated with observable quantities in probabilistic models. We explore how to interpret uncertain evidence, and by extension the importance of proper interpretation as it pertains to inference about latent variables. We consider a recently-proposed method `stochastic evidence' as well as revisit two older methods: Jeffrey's rule and virtual evidence. We devise concrete guidelines on how to account for uncertain evidence and we provide new insights, particularly regarding consistency. To showcase the impact of different interpretations of the same uncertain evidence, we carry out experiments in which we compare inference results associated with each interpretation.

Modeling and characterizing multiple factors is perhaps the most important step in achieving excess returns over market benchmarks. Both academia and industry are striving to find new factors that have good explanatory power for future stock returns and good stability of their predictive power. In practice, factor investing is still largely based on linear multi-factor models, although many deep learning methods show promising results compared to traditional methods in stock trend prediction and portfolio risk management. However, the existing non-linear methods have two drawbacks: 1) there is a lack of interpretation of the newly discovered factors, 2) the financial insights behind the mining process are unclear, making practitioners reluctant to apply the existing methods to factor investing. To address these two shortcomings, we develop a novel deep multi-factor model that adopts industry neutralization and market neutralization modules with clear financial insights, which help us easily build a dynamic and multi-relational stock graph in a hierarchical structure to learn the graph representation of stock relationships at different levels, e.g., industry level and universal level. Subsequently, graph attention modules are adopted to estimate a series of deep factors that maximize the cumulative factor returns. And a factor-attention module is developed to approximately compose the estimated deep factors from the input factors, as a way to interpret the deep factors explicitly. Extensive experiments on real-world stock market data demonstrate the effectiveness of our deep multi-factor model in the task of factor investing.  ( 3 min )

Health conditions among patients in intensive care units (ICUs) are monitored via electronic health records (EHRs), composed of numerical time series and lengthy clinical note sequences, both taken at irregular time intervals. Dealing with such irregularity in every modality, and integrating irregularity into multimodal representations to improve medical predictions, is a challenging problem. In this paper, we address this problem by (1) modeling irregular time series by incorporating hand-crafted imputation embeddings into learned interpolation embeddings via a gating mechanism; (2) casting a series of clinical note representations as multivariate irregular time series and tackling irregularity via a time attention mechanism; and (3) fusing multimodalities with an interleaved attention mechanism across temporal steps to integrate irregularity into multimodal representations. To the best of our knowledge, this is the first work to thoroughly model irregularity in multimodalities and to take into account temporal knowledge in multimodal fusion, for improving medical predictions. The results on two medical prediction tasks show that our proposed methods outperform the state-of-the-art (SOTA) methods in both every single modality and multimodal fusion scenarios, illustrating the effectiveness of our methods and the value of modeling irregularity in multimodal fusion.  ( 2 min )

Deep learning models rely on highly optimized tensor libraries for efficient inference on heterogeneous hardware. Current deep compilers typically predetermine layouts of tensors and then optimize loops of operators. However, such unidirectional and one-off workflow strictly separates graph-level optimization and operator-level optimization into different system layers, missing opportunities for unified tuning. This paper proposes ALT, a compiler that performs joint graph- and operator-level optimizations for deep models. JOG provides a generic transformation module to manipulate layouts and loops with easy-to-use primitive functions. JOG further integrates an auto-tuning module that jointly optimizes graph-level data layouts and operator-level loops while guaranteeing efficiency. Experimental results show that JOG significantly outperforms state-of-the-art compilers (e.g., Ansor) in terms of both single operator performance (e.g., 1.5x speedup on average) and end-to-end inference performance (e.g., 1.4x speedup on average).

Forecasting global precipitation patterns and, in particular, extreme precipitation events is of critical importance to preparing for and adapting to climate change. Making accurate high-resolution precipitation forecasts using traditional physical models remains a major challenge in operational weather forecasting as they incur substantial computational costs and struggle to achieve sufficient forecast skill. Recently, deep-learning-based models have shown great promise in closing the gap with numerical weather prediction (NWP) models in terms of precipitation forecast skill, opening up exciting new avenues for precipitation modeling. However, it is challenging for these deep learning models to fully resolve the fine-scale structures of precipitation phenomena and adequately characterize the extremes of the long-tailed precipitation distribution. In this work, we present several improvements to the architecture and training process of a current state-of-the art deep learning precipitation model (FourCastNet) using a novel generative adversarial network (GAN) to better capture fine scales and extremes. Our improvements achieve superior performance in capturing the extreme percentiles of global precipitation, while comparable to state-of-the-art NWP models in terms of forecast skill at 1--2 day lead times. Together, these improvements set a new state-of-the-art in global precipitation forecasting.

Weather and climate simulations produce petabytes of high-resolution data that are later analyzed by researchers in order to understand climate change or severe weather. We propose a new method of compressing this multidimensional weather and climate data: a coordinate-based neural network is trained to overfit the data, and the resulting parameters are taken as a compact representation of the original grid-based data. While compression ratios range from 300x to more than 3,000x, our method outperforms the state-of-the-art compressor SZ3 in terms of weighted RMSE, MAE. It can faithfully preserve important large scale atmosphere structures and does not introduce artifacts. When using the resulting neural network as a 790x compressed dataloader to train the WeatherBench forecasting model, its RMSE increases by less than 2%. The three orders of magnitude compression democratizes access to high-resolution climate data and enables numerous new research directions.

Optimization problems with expensive nonlinear cost functions and combinatorial constraints appear in many real-world applications, but remain challenging to solve efficiently. Existing combinatorial solvers like Mixed Integer Linear Programming can be fast in practice but cannot readily optimize nonlinear cost functions, while general nonlinear optimizers like gradient descent often do not handle complex combinatorial structures, may require many queries of the cost function, and are prone to local optima. To bridge this gap, we propose SurCo that learns linear Surrogate costs which can be used by existing Combinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We learn these linear surrogates end-to-end with the nonlinear loss by differentiating through the linear surrogate solver. Three variants of SurCo are proposed: SurCo-zero operates on individual nonlinear problems, SurCo-prior trains a linear surrogate predictor on distributions of problems, and SurCo-hybrid uses a model trained offline to warm start online solving for SurCo-zero. We analyze our method theoretically and empirically, showing smooth convergence and improved performance. Experiments show that compared to state-of-the-art approaches and expert-designed heuristics, SurCo obtains lower cost solutions with comparable or faster solve time for two realworld industry-level applications: embedding table sharding and inverse photonic design.

Molecular generation via deep learning models in combination with reinforcement learning is a powerful way of generating proposed molecules with desirable properties. By defining a multi-objective scoring function, it is possible to generate thousands of ideas for molecules that scores well, which makes the approach interesting for drug discovery or material science purposes. However, if the scoring function is expensive regarding resources, such as time or computation, the high number of function evaluations needed for feedback in the reinforcement learning loop becomes a bottleneck. Here we propose to use double-loop reinforcement learning with simplified molecular line entry system (SMILES) augmentation to use scoring calculations more efficiently and arrive at well scoring molecules faster. By adding an inner loop where the SMILES strings generated are augmented to alternative non-canonical SMILES and used for additional rounds of reinforcement learning, we can effectively reuse the scoring calculations that are done on the molecular level. This approach speeds up the learning process regarding scoring function calls, as well as it protects moderately against mode collapse. We find that augmentation repeats between 5-10x seem safe for most scoring functions and additionally increase the diversity of the generated compounds, as well as making the sampling runs of chemical space more reproducible

Data-driven models, such as FourCastNet (FCN), have shown exemplary performance in high-resolution global weather forecasting. This performance, however, is based on supervision on mesh-gridded weather data without the utilization of raw climate observational data, the gold standard ground truth. In this work we develop a methodology to correct, remap, and fine-tune gridded uniform forecasts of FCN so it can be directly compared against observational ground truth, which is sparse and non-uniform in space and time. This is akin to bias correction and post-processing of numerical weather prediction (NWP), a routine operation at meteorological and weather forecasting centers across the globe. The Adaptive Fourier Neural Operator (AFNO) architecture is used as the backbone to learn continuous representations of the atmosphere. The spatially and temporally non-uniform output is evaluated by the non-uniform discrete inverse Fourier transform (NUIDFT) given the output query locations. We call this network the Deep-Learning-Corrector-Remapper (DLCR). The improvement in DLCR's performance against the gold standard ground truth over the baseline's performance shows its potential to correct, remap, and fine-tune the mesh-gridded forecasts under the supervision of observations.  ( 2 min )

Abstractive summarization models typically learn to capture the salient information from scratch implicitly. Recent literature adds extractive summaries as guidance for abstractive summarization models to provide hints of salient content and achieves better performance. However, extractive summaries as guidance could be over strict, leading to information loss or noisy signals. Furthermore, it cannot easily adapt to documents with various abstractiveness. As the number and allocation of salience content pieces vary, it is hard to find a fixed threshold deciding which content should be included in the guidance. In this paper, we propose a novel summarization approach with a flexible and reliable salience guidance, namely SEASON (SaliencE Allocation as Guidance for Abstractive SummarizatiON). SEASON utilizes the allocation of salience expectation to guide abstractive summarization and adapts well to articles in different abstractiveness. Automatic and human evaluations on two benchmark datasets show that the proposed method is effective and reliable. Empirical results on more than one million news articles demonstrate a natural fifteen-fifty salience split for news article sentences, providing a useful insight for composing news articles.  ( 2 min )

Convolutional deep sets are the architecture of a deep neural network (DNN) that can model stationary stochastic process. This architecture uses the kernel smoother and the DNN to construct the translation equivariant functional representations, and thus reflects the inductive bias of the stationarity into DNN. However, since this architecture employs the kernel smoother known as the non-parametric model, it may produce ambiguous representations when the number of data points is not given sufficiently. To remedy this issue, we introduce Bayesian convolutional deep sets that construct the random translation equivariant functional representations with stationary prior. Furthermore, we present how to impose the task-dependent prior for each dataset because a wrongly imposed prior forms an even worse representation than that of the kernel smoother. We validate the proposed architecture and its training on various experiments with time-series and image datasets.  ( 2 min )

The exponential growth of Location-based Social Networks (LBSNs) has greatly stimulated the demand for precise location-based recommendation services. Next Point-of-Interest (POI) recommendation, which aims to provide personalised POI suggestions for users based on their visiting histories, has become a prominent component in location-based e-commerce. Recent POI recommenders mainly employ self-attention mechanism or graph neural networks to model complex high-order POI-wise interactions. However, most of them are merely trained on the historical check-in data in a standard supervised learning manner, which fail to fully explore each user's multi-faceted preferences, and suffer from data scarcity and long-tailed POI distribution, resulting in sub-optimal performance. To this end, we propose a Self-s}upervised Graph-enhanced POI Recommender (S2GRec) for next POI recommendation. In particular, we devise a novel Graph-enhanced Self-attentive layer to incorporate the collaborative signals from both global transition graph and local trajectory graphs to uncover the transitional dependencies among POIs and capture a user's temporal interests. In order to counteract the scarcity and incompleteness of POI check-ins, we propose a novel self-supervised learning paradigm in \ssgrec, where the trajectory representations are contrastively learned from two augmented views on geolocations and temporal transitions. Extensive experiments are conducted on three real-world LBSN datasets, demonstrating the effectiveness of our model against state-of-the-art methods.  ( 2 min )

The formalization of existing mathematical proofs is a notoriously difficult process. Despite decades of research on automation and proof assistants, writing formal proofs remains arduous and only accessible to a few experts. While previous studies to automate formalization focused on powerful search algorithms, no attempts were made to take advantage of available informal proofs. In this work, we introduce Draft, Sketch, and Prove (DSP), a method that maps informal proofs to formal proof sketches, and uses the sketches to guide an automated prover by directing its search to easier sub-problems. We investigate two relevant setups where informal proofs are either written by humans or generated by a language model. Our experiments and ablation studies show that large language models are able to produce well-structured formal sketches that follow the same reasoning steps as the informal proofs. Guiding an automated prover with these sketches enhances its performance from 20.9% to 39.3% on a collection of mathematical competition problems.  ( 2 min )

Alzheimer's disease (AD) is a neuro-degenerative disease that can cause dementia and result severe reduction in brain function inhibiting simple tasks especially if no preventative care is taken. Over 1 in 9 Americans suffer from AD induced dementia and unpaid care for people with AD related dementia is valued at $271.6 billion. In this paper, we first review other approaches that could be used for early detection of AD. We then give an overview of our dataset that was from the Alzheimer's Disease Neuroimaging Initiative (ADNI) and propose a deep Convolutional Neural Network (CNN) architecture consisting of 7,866,819 parameters. This model has three different length convolutional branches each comprised of different kernel sizes that can predict whether a patient is non-demented, mild-demented, or moderately-demented with a 99.05% three class accuracy.

The research area of algorithms with predictions has seen recent success showing how to incorporate machine learning into algorithm design to improve performance when the predictions are correct, while retaining worst-case guarantees when they are not. Most previous work has assumed that the algorithm has access to a single predictor. However, in practice, there are many machine learning methods available, often with incomparable generalization guarantees, making it hard to pick a best method a priori. In this work we consider scenarios where multiple predictors are available to the algorithm and the question is how to best utilize them. Ideally, we would like the algorithm's performance to depend on the quality of the best predictor. However, utilizing more predictions comes with a cost, since we now have to identify which prediction is the best. We study the use of multiple predictors for a number of fundamental problems, including matching, load balancing, and non-clairvoyant scheduling, which have been well-studied in the single predictor setting. For each of these problems we introduce new algorithms that take advantage of multiple predictors, and prove bounds on the resulting performance.

This study is about inducing classifiers using data that is imbalanced, with a minority class being under-represented in relation to the majority classes. The first section of this research focuses on the main characteristics of data that generate this problem. Following a study of previous, relevant research, a variety of artificial, imbalanced data sets influenced by important elements were created. These data sets were used to create decision trees and rule-based classifiers. The second section of this research looks into how to improve classifiers by pre-processing data with resampling approaches. The results of the following trials are compared to the performance of distinct pre-processing re-sampling methods: two variants of random over-sampling and focused under-sampling NCR. This paper further optimises class imbalance with a new method called Sparsity. The data is made more sparse from its class centers, hence making it more homogenous.

Humans are able to intuitively deduce actions that took place between two states in observations via deductive reasoning. This is because the brain operates on a bidirectional communication model, which has radically improved the accuracy of recognition and prediction based on features connected to previous experiences. During the past decade, deep learning models for action recognition have significantly improved. However, deep neural networks struggle with these tasks on a smaller dataset for specific Action Recognition (AR) tasks. As with most action recognition tasks, the ambiguity of accurately describing activities in spatial-temporal data is a drawback that can be overcome by curating suitable datasets, including careful annotations and preprocessing of video data for analyzing various recognition tasks. In this study, we present a novel lightweight framework combining transfer learning techniques with a Conv2D LSTM layer to extract features from the pre-trained I3D model on the Kinetics dataset for a new AR task (Smart Baby Care) that requires a smaller dataset and less computational resources. Furthermore, we developed a benchmark dataset and an automated model that uses LSTM convolution with I3D (ConvLSTM-I3D) for recognizing and predicting baby activities in a smart baby room. Finally, we implemented video augmentation to improve model performance on the smart baby care task. Compared to other benchmark models, our experimental framework achieved better performance with less computational resources.  ( 2 min )

Generative models based on denoising diffusion techniques have led to an unprecedented increase in the quality and diversity of imagery that is now possible to create with neural generative models. However, most contemporary state-of-the-art methods are derived from a standard isotropic Gaussian formulation. In this work we examine the situation where non-isotropic Gaussian distributions are used. We present the key mathematical derivations for creating denoising diffusion models using an underlying non-isotropic Gaussian noise model. We also provide initial experiments to help verify empirically that this more general modelling approach can also yield high-quality samples.

Recently, the generality of natural language text has been leveraged to develop transferable recommender systems. The basic idea is to employ pre-trained language model (PLM) to encode item text into item representations. Despite the promising transferability, the binding between item text and item representations might be too tight, leading to potential problems such as over-emphasizing text similarity and exaggerating domain gaps. To address this issue, this paper proposes VQ-Rec, a novel approach to learning Vector-Quantized item representations for transferable sequential Recommender. The major novelty of our approach lies in the new item representation scheme: it first maps item text into a vector of discrete indices (called item code), and then employs these indices to lookup the code embedding table for deriving item representations. Such a scheme can be denoted as "text -> code -> representation". Based on this representation scheme, we further propose an enhanced contrastive pre-training approach, using semi-synthetic and mixed-domain code representations as hard negatives. Furthermore, we design a new cross-domain fine-tuning method based on a differentiable permutation-based network. Extensive experiments conducted on six public benchmarks demonstrate the effectiveness of the proposed approach, in both cross-domain and cross-platform settings.

Recent research has explored using neural networks to reconstruct undersampled magnetic resonance imaging (MRI) data. Because of the complexity of the artifacts in the reconstructed images, there is a need to develop task-based approaches of image quality. Common metrics for evaluating image quality like the normalized root mean squared error (NRMSE) and structural similarity (SSIM) are global metrics which average out impact of subtle features in the images. Using measures of image quality which incorporate a subtle signal for a specific task allow for image quality assessment which locally evaluates the effect of undersampling on a signal. We used a U-Net to reconstruct under-sampled images with 2x, 3x, 4x and 5x fold 1-D undersampling rates. Cross validation was performed for a 500 and a 4000 image training set with both structural similarity (SSIM) and mean squared error (MSE) losses. A two alternative forced choice (2-AFC) observer study was carried out for detecting a subtle signal (small blurred disk) from images with the 4000 image training set. We found that for both loss functions and training set sizes, the human observer performance on the 2-AFC studies led to a choice of a 2x undersampling but the SSIM and NRMSE led to a choice of a 3x undersampling. For this task, SSIM and NRMSE led to an overestimate of the achievable undersampling using a U-Net before a steep loss of image quality when compared to the performance of human observers in the detection of a subtle lesion.

Advances in deep learning theory have revealed how average generalization relies on superficial patterns in data. The consequences are brittle models with poor performance with shift in group distribution at test time. When group annotation is available, we can use robust optimization tools to tackle the problem. However, identification and annotation are time-consuming, especially on large datasets. A recent line of work leverages self-supervision and oversampling to improve generalization on minority groups without group annotation. We propose to unify and generalize these approaches using a class-conditional variant of mixup tailored for worst-group generalization. Our approach, Just Mix Once (JM1), interpolates samples during learning, augmenting the training distribution with a continuous mixture of groups. JM1 is domain agnostic and computationally efficient, can be used with any level of group annotation, and performs on par or better than the state-of-the-art on worst-group generalization. Additionally, we provide a simple explanation of why JM1 works.

One common approach to detecting change-points is minimizing a cost function over possible numbers and locations of change-points. The framework includes several well-established procedures, such as the penalized likelihood and minimum description length. Such an approach requires finding the cost value repeatedly over different segments of the data set, which can be time-consuming when (i) the data sequence is long and (ii) obtaining the cost value involves solving a non-trivial optimization problem. This paper introduces a new sequential method (SE) that can be coupled with gradient descent (SeGD) and quasi-Newton's method (SeN) to find the cost value effectively. The core idea is to update the cost value using the information from previous steps without re-optimizing the objective function. The new method is applied to change-point detection in generalized linear models and penalized regression. Numerical studies show that the new approach can be orders of magnitude faster than the Pruned Exact Linear Time (PELT) method without sacrificing estimation accuracy.

Several studies have shown that deep learning models can provide more accurate volatility forecasts than the traditional methods used within this domain. This paper presents a composite model that merges a deep learning approach with sentiment analysis for predicting market volatility. To classify public sentiment, we use a Convolutional Neural Network, which obtained data from Reddit global news headlines. We then describe a composite forecasting model, a Long-Short-Term-Memory Neural Network method, to use historical sentiment and the previous day's volatility to make forecasts. We employed this method on the past volatility of the S\&P500 and the major BRICS indices to corroborate its effectiveness. Our results demonstrate that including sentiment can improve deep learning volatility forecasting models. However, in contrast to return forecasting, the performance benefits of including sentiment appear for volatility forecasting appears to be market specific.  ( 2 min )

Many real-world strategic games involve interactions between multiple players. We study a hierarchical multi-player game structure, where players with asymmetric roles can be separated into leaders and followers, a setting often referred to as Stackelberg game or leader-follower game. In particular, we focus on a Stackelberg game scenario where there are multiple leaders and a single follower, called the Multi-Leader-Single-Follower (MLSF) game. We propose a novel asymmetric equilibrium concept for the MLSF game called Correlated Stackelberg Equilibrium (CSE). We design online learning algorithms that enable the players to interact in a distributed manner, and prove that it can achieve no-external Stackelberg-regret learning. This further translates to the convergence to approximate CSE via a reduction from no-external regret to no-swap regret. At the core of our works, we solve the intricate problem of how to learn equilibrium in leader-follower games with noisy bandit feedback by balancing exploration and exploitation in different learning structures.  ( 2 min )

One-class classification (OCC) is the problem of deciding whether an observed sample belongs to a target class or not. We consider the problem of learning an OCC model when the dataset available at the learning stage contains only samples from the target class. We aim at obtaining a classifier that performs as the generalized likelihood ratio test (GLRT), which is a well-known and provably optimal (under specific assumptions) classifier when the statistic of the target class is available. To this end, we consider both the multilayer perceptron neural network (NN) and the support vector machine (SVM) models. They are trained as two-class classifiers using an artificial dataset for the alternative class, obtained by generating random samples, uniformly over the domain of the target-class dataset. We prove that, under suitable assumptions, the models converge (with a large dataset) to the GLRT. Moreover, we show that the one-class least squares SVM (OCLSSVM) at convergence performs as the GLRT, with a suitable transformation function. Lastly, we compare the obtained solutions with the autoencoder (AE) classifier, which does not in general provide the GLRT  ( 2 min )

In this work, we present and study a new framework for online learning in systems with multiple users that provide user anonymity. Specifically, we extend the notion of bandits to obey the standard $k$-anonymity constraint by requiring each observation to be an aggregation of rewards for at least $k$ users. This provides a simple yet effective framework where one can learn a clustering of users in an online fashion without observing any user's individual decision. We initiate the study of anonymous bandits and provide the first sublinear regret algorithms and lower bounds for this setting.

The two-sided markets such as ride-sharing companies often involve a group of subjects who are making sequential decisions across time and/or location. With the rapid development of smart phones and internet of things, they have substantially transformed the transportation landscape of human beings. In this paper we consider large-scale fleet management in ride-sharing companies that involve multiple units in different areas receiving sequences of products (or treatments) over time. Major technical challenges, such as policy evaluation, arise in those studies because (i) spatial and temporal proximities induce interference between locations and times; and (ii) the large number of locations results in the curse of dimensionality. To address both challenges simultaneously, we introduce a multi-agent reinforcement learning (MARL) framework for carrying policy evaluation in these studies. We propose novel estimators for mean outcomes under different products that are consistent despite the high-dimensionality of state-action space. The proposed estimator works favorably in simulation experiments. We further illustrate our method using a real dataset obtained from a two-sided marketplace company to evaluate the effects of applying different subsidizing policies. A Python implementation of our proposed method is available at https://github.com/RunzheStat/CausalMARL.

We study the problem of learning generalized linear models under adversarial corruptions. We analyze a classical heuristic called the iterative trimmed maximum likelihood estimator which is known to be effective against label corruptions in practice. Under label corruptions, we prove that this simple estimator achieves minimax near-optimal risk on a wide range of generalized linear models, including Gaussian regression, Poisson regression and Binomial regression. Finally, we extend the estimator to the more challenging setting of label and covariate corruptions and demonstrate its robustness and optimality in that setting as well.

Gradient Boosting (GB) is a popular methodology used to solve prediction problems by minimizing a differentiable loss function, $L$. GB performs very well on tabular machine learning (ML) problems; however, as a pure ML solver it lacks the ability to fit models with probabilistic but correlated multi-dimensional outputs, for example, multiple correlated Bernoulli outputs. GB also does not form intermediate abstract data embeddings, one property of Deep Learning that gives greater flexibility and performance on other types of problems. This paper presents a simple adjustment to GB motivated in part by artificial neural networks. Specifically, our adjustment inserts a matrix multiplication between the output of a GB model and the loss, $L$. This allows the output of a GB model to have increased dimension prior to being fed into the loss and is thus ``wider'' than standard GB implementations. We call our method Wide Boosting (WB) and show that WB outperforms GB on mult-dimesional output tasks and that the embeddings generated by WB contain are more useful in downstream prediction tasks than GB output predictions alone.

Recent studies have shown that gradient descent (GD) can achieve improved generalization when its dynamics exhibits a chaotic behavior. However, to obtain the desired effect, the step-size should be chosen sufficiently large, a task which is problem dependent and can be difficult in practice. In this study, we incorporate a chaotic component to GD in a controlled manner, and introduce multiscale perturbed GD (MPGD), a novel optimization framework where the GD recursion is augmented with chaotic perturbations that evolve via an independent dynamical system. We analyze MPGD from three different angles: (i) By building up on recent advances in rough paths theory, we show that, under appropriate assumptions, as the step-size decreases, the MPGD recursion converges weakly to a stochastic differential equation (SDE) driven by a heavy-tailed L\'evy-stable process. (ii) By making connections to recently developed generalization bounds for heavy-tailed processes, we derive a generalization bound for the limiting SDE and relate the worst-case generalization error over the trajectories of the process to the parameters of MPGD. (iii) We analyze the implicit regularization effect brought by the dynamical regularization and show that, in the weak perturbation regime, MPGD introduces terms that penalize the Hessian of the loss function. Empirical results are provided to demonstrate the advantages of MPGD.

We establish a sharp uniform-in-time error estimate for the Stochastic Gradient Langevin Dynamics (SGLD), which is a popular sampling algorithm. Under mild assumptions, we obtain a uniform-in-time $O(\eta^2)$ bound for the KL-divergence between the SGLD iteration and the Langevin diffusion, where $\eta$ is the step size (or learning rate). Our analysis is also valid for varying step sizes. Based on this, we are able to obtain an $O(\eta)$ bound for the distance between the SGLD iteration and the invariant distribution of the Langevin diffusion, in terms of Wasserstein or total variation distances.

We give a method for proactively identifying small, plausible shifts in distribution which lead to large differences in model performance. These shifts are defined via parametric changes in the causal mechanisms of observed variables, where constraints on parameters yield a "robustness set" of plausible distributions and a corresponding worst-case loss over the set. While the loss under an individual parametric shift can be estimated via reweighting techniques such as importance sampling, the resulting worst-case optimization problem is non-convex, and the estimate may suffer from large variance. For small shifts, however, we can construct a local second-order approximation to the loss under shift and cast the problem of finding a worst-case shift as a particular non-convex quadratic optimization problem, for which efficient algorithms are available. We demonstrate that this second-order approximation can be estimated directly for shifts in conditional exponential family models, and we bound the approximation error. We apply our approach to a computer vision task (classifying gender from images), revealing sensitivity to shifts in non-causal attributes.

A central question in computational neuroscience is how structure determines function in neural networks. The emerging high-quality large-scale connectomic datasets raise the question of what general functional principles can be gleaned from structural information such as the distribution of excitatory/inhibitory synapse types and the distribution of synaptic weights. Motivated by this question, we developed a statistical mechanical theory of learning in neural networks that incorporates structural information as constraints. We derived an analytical solution for the memory capacity of the perceptron, a basic feedforward model of supervised learning, with constraint on the distribution of its weights. Our theory predicts that the reduction in capacity due to the constrained weight-distribution is related to the Wasserstein distance between the imposed distribution and that of the standard normal distribution. To test the theoretical predictions, we use optimal transport theory and information geometry to develop an SGD-based algorithm to find weights that simultaneously learn the input-output task and satisfy the distribution constraint. We show that training in our algorithm can be interpreted as geodesic flows in the Wasserstein space of probability distributions. We further developed a statistical mechanical theory for teacher-student perceptron rule learning and ask for the best way for the student to incorporate prior knowledge of the rule. Our theory shows that it is beneficial for the learner to adopt different prior weight distributions during learning, and shows that distribution-constrained learning outperforms unconstrained and sign-constrained learning. Our theory and algorithm provide novel strategies for incorporating prior knowledge about weights into learning, and reveal a powerful connection between structure and function in neural networks.

Classical false discovery rate (FDR) controlling procedures offer strong and interpretable guarantees but often lack flexibility to work with complex data. By contrast, machine learning-based classification algorithms have superior performances on modern datasets but typically fall short of error-controlling guarantees. In this paper, we make these two meet by introducing a new adaptive novelty detection procedure with FDR control, called AdaDetect. It extends the scope of recent works of multiple testing literature to the high dimensional setting, notably the one in Yang et al. (2021). We prove that AdaDetect comes with finite sample guarantees: it controls the FDR strongly and approximates the oracle in terms of the power, with explicit remainder terms that are small under mild conditions. In practice, AdaDetect can be used in combination with any machine learning-based classifier, which allows the user to choose the most relevant classification approach. We illustrate this with classical real-world datasets, for which random forest and neural network classifiers are particularly efficient. The versatility of our method is also shown with an astrophysical application.

Bayesian optimisation (BO) algorithms have shown remarkable success in applications involving expensive black-box functions. Traditionally BO has been set as a sequential decision-making process which estimates the utility of query points via an acquisition function and a prior over functions, such as a Gaussian process. Recently, however, a reformulation of BO via density-ratio estimation (BORE) allowed reinterpreting the acquisition function as a probabilistic binary classifier, removing the need for an explicit prior over functions and increasing scalability. In this paper, we present a theoretical analysis of BORE's regret and an extension of the algorithm with improved uncertainty estimates. We also show that BORE can be naturally extended to a batch optimisation setting by recasting the problem as approximate Bayesian inference. The resulting algorithms come equipped with theoretical performance guarantees and are assessed against other batch and sequential BO baselines in a series of experiments.

Evaluation of intervention in a multi-agent system, e.g., when humans should intervene in autonomous driving systems and when a player should pass to teammates for a good shot, is challenging in various engineering and scientific fields. Estimating the individual treatment effect (ITE) using counterfactual long-term prediction is practical to evaluate such interventions. However, most of the conventional frameworks did not consider the time-varying complex structure of multi-agent relationships and covariate counterfactual prediction. This may sometimes lead to erroneous assessments of ITE and interpretation problems. Here we propose an interpretable, counterfactual recurrent network in multi-agent systems to estimate the effect of the intervention. Our model leverages graph variational recurrent neural networks and theory-based computation with domain knowledge for the ITE estimation framework based on long-term prediction of multi-agent covariates and outcomes, which can confirm under the circumstances under which the intervention is effective. On simulated models of an automated vehicle and biological agents with time-varying confounders, we show that our methods achieved lower estimation errors in counterfactual covariates and the most effective treatment timing than the baselines. Furthermore, using real basketball data, our methods performed realistic counterfactual predictions and evaluated the counterfactual passes in shot scenarios.

Information-theoretic Bayesian optimization techniques have become popular for optimizing expensive-to-evaluate black-box functions due to their non-myopic qualities. Entropy Search and Predictive Entropy Search both consider the entropy over the optimum in the input space, while the recent Max-value Entropy Search considers the entropy over the optimal value in the output space. We propose Joint Entropy Search (JES), a novel information-theoretic acquisition function that considers an entirely new quantity, namely the entropy over the joint optimal probability density over both input and output space. To incorporate this information, we consider the reduction in entropy from conditioning on fantasized optimal input/output pairs. The resulting approach primarily relies on standard GP machinery and removes complex approximations typically associated with information-theoretic methods. With minimal computational overhead, JES shows superior decision-making, and yields state-of-the-art performance for information-theoretic approaches across a wide suite of tasks. As a light-weight approach with superior results, JES provides a new go-to acquisition function for Bayesian optimization.

We present an implicit likelihood approach to quantifying cosmological information over discrete catalogue data, assembled as graphs. To do so, we explore cosmological inference using mock dark matter halo catalogues. We employ Information Maximising Neural Networks (IMNNs) to quantify Fisher information extraction as a function of graph representation. We a) demonstrate the high sensitivity of modular graph structure to the underlying cosmology in the noise-free limit, b) show that networks automatically combine mass and clustering information through comparisons to traditional statistics, c) demonstrate that graph neural networks can still extract information when catalogues are subject to noisy survey cuts, and d) illustrate how nonlinear IMNN summaries can be used as asymptotically optimal compressed statistics for Bayesian implicit likelihood inference. We reduce the area of joint $\Omega_m, \sigma_8$ parameter constraints with small ($\sim$100 object) halo catalogues by a factor of 42 over the two-point correlation function, and demonstrate that the networks automatically combine mass and clustering information. This work utilises a new IMNN implementation over graph data in Jax, which can take advantage of either numerical or auto-differentiability. We also show that graph IMNNs successfully compress simulations far from the fiducial model at which the network is fitted, indicating a promising alternative to $n$-point statistics in catalogue-based analyses.

Debiased machine learning is a meta algorithm based on bias correction and sample splitting to calculate confidence intervals for functionals, i.e. scalar summaries, of machine learning algorithms. For example, an analyst may desire the confidence interval for a treatment effect estimated with a neural network. We provide a nonasymptotic debiased machine learning theorem that encompasses any global or local functional of any machine learning algorithm that satisfies a few simple, interpretable conditions. Formally, we prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments. The rate of convergence is $n^{-1/2}$ for global functionals, and it degrades gracefully for local functionals. Our results culminate in a simple set of conditions that an analyst can use to translate modern learning theory rates into traditional statistical inference. The conditions reveal a general double robustness property for ill posed inverse problems.

We study the frontier between learnable and unlearnable hidden Markov models (HMMs). HMMs are flexible tools for clustering dependent data coming from unknown populations. The model parameters are known to be fully identifiable (up to label-switching) without any modeling assumption on the distributions of the populations as soon as the clusters are distinct and the hidden chain is ergodic with a full rank transition matrix. In the limit as any one of these conditions fails, it becomes impossible in general to identify parameters. For a chain with two hidden states we prove nonasymptotic minimax upper and lower bounds, matching up to constants, which exhibit thresholds at which the parameters become learnable. We also provide an upper bound on the relative entropy rate for parameters in a neighbourhood of the unlearnable region which may have interest in itself.

The matrix completion problem seeks to recover a $d\times d$ ground truth matrix of low rank $r\ll d$ from observations of its individual elements. Real-world matrix completion is often a huge-scale optimization problem, with $d$ so large that even the simplest full-dimension vector operations with $O(d)$ time complexity become prohibitively expensive. Stochastic gradient descent (SGD) is one of the few algorithms capable of solving matrix completion on a huge scale, and can also naturally handle streaming data over an evolving ground truth. Unfortunately, SGD experiences a dramatic slow-down when the underlying ground truth is ill-conditioned; it requires at least $O(\kappa\log(1/\epsilon))$ iterations to get $\epsilon$-close to ground truth matrix with condition number $\kappa$. In this paper, we propose a preconditioned version of SGD that preserves all the favorable practical qualities of SGD for huge-scale online optimization while also making it agnostic to $\kappa$. For a symmetric ground truth and the Root Mean Square Error (RMSE) loss, we prove that the preconditioned SGD converges to $\epsilon$-accuracy in $O(\log(1/\epsilon))$ iterations, with a rapid linear convergence rate as if the ground truth were perfectly conditioned with $\kappa=1$. In our experiments, we observe a similar acceleration for item-item collaborative filtering on the MovieLens25M dataset via a pair-wise ranking loss, with 100 million training pairs and 10 million testing pairs. [See supporting code at https://github.com/Hong-Ming/ScaledSGD.]

In this work, our goal is to train agents that can coordinate with seen, unseen as well as human partners in a multi-agent communication environment involving natural language. Previous work using a single set of agents has shown great progress in generalizing to known partners, however it struggles when coordinating with unfamiliar agents. To mitigate that, recent work explored the use of population-based approaches, where multiple agents interact with each other with the goal of learning more generic protocols. These methods, while able to result in good coordination between unseen partners, still only achieve so in cases of simple languages, thus failing to adapt to human partners using natural language. We attribute this to the use of static populations and instead propose a dynamic population-based meta-learning approach that builds such a population in an iterative manner. We perform a holistic evaluation of our method on two different referential games, and show that our agents outperform all prior work when communicating with seen partners and humans. Furthermore, we analyze the natural language generation skills of our agents, where we find that our agents also outperform strong baselines. Finally, we test the robustness of our agents when communicating with out-of-population agents and carefully test the importance of each component of our method through ablation studies.

Training even moderately-sized generative models with differentially-private stochastic gradient descent (DP-SGD) is difficult: the required level of noise for reasonable levels of privacy is simply too large. We advocate instead building off a good, relevant representation on an informative public dataset, then learning to model the private data with that representation. In particular, we minimize the maximum mean discrepancy (MMD) between private target data and a generator's distribution, using a kernel based on perceptual features learned from a public dataset. With the MMD, we can simply privatize the data-dependent term once and for all, rather than introducing noise at each step of optimization as in DP-SGD. Our algorithm allows us to generate CIFAR10-level images with $\epsilon \approx 2$ which capture distinctive features in the distribution, far surpassing the current state of the art, which mostly focuses on datasets such as MNIST and FashionMNIST at a large $\epsilon \approx 10$. Our work introduces simple yet powerful foundations for reducing the gap between private and non-private deep generative models.

This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.

Adaptive curricula in reinforcement learning (RL) have proven effective for producing policies robust to discrepancies between the train and test environment. Recently, the Unsupervised Environment Design (UED) framework generalized RL curricula to generating sequences of entire environments, leading to new methods with robust minimax regret properties. Problematically, in partially-observable or stochastic settings, optimal policies may depend on the ground-truth distribution over aleatoric parameters of the environment in the intended deployment setting, while curriculum learning necessarily shifts the training distribution. We formalize this phenomenon as curriculum-induced covariate shift (CICS), and describe how its occurrence in aleatoric parameters can lead to suboptimal policies. Directly sampling these parameters from the ground-truth distribution avoids the issue, but thwarts curriculum learning. We propose SAMPLR, a minimax regret UED method that optimizes the ground-truth utility function, even when the underlying training data is biased due to CICS. We prove, and validate on challenging domains, that our approach preserves optimality under the ground-truth distribution, while promoting robustness across the full range of environment settings.

Random-walk based network embedding algorithms like DeepWalk and node2vec are widely used to obtain Euclidean representation of the nodes in a network prior to performing downstream inference tasks. However, despite their impressive empirical performance, there is a lack of theoretical results explaining their large-sample behavior. In this paper, we study node2vec and DeepWalk through the perspective of matrix factorization. In particular, we analyze these algorithms in the setting of community detection for stochastic blockmodel graphs (and their degree-corrected variants). By exploiting the row-wise uniform perturbation bound for leading singular vectors, we derive high-probability error bounds between the matrix factorization-based node2vec/DeepWalk embeddings and their true counterparts, uniformly over all node embeddings. Based on strong concentration results, we further show the perfect membership recovery by node2vec/DeepWalk, followed by $K$-means/medians algorithms. Specifically, as the network becomes sparser, our results guarantee that with large enough window size and vertices number, applying $K$-means/medians on the matrix factorization-based node2vec embeddings can, with high probability, correctly recover the memberships of all vertices in a network generated from the stochastic blockmodel (or its degree-corrected variants). The theoretical justifications are mirrored in the numerical experiments and real data applications, for both the original node2vec and its matrix factorization variant.

There has been an increasing interest in utilizing machine learning methods in inverse problems and imaging. Most of the work has, however, concentrated on image reconstruction problems, and the number of studies regarding the full solution of the inverse problem is limited. In this work, we study a machine learning based approach for the Bayesian inverse problem of photoacoustic tomography. We develop an approach for estimating the posterior distribution in photoacoustic tomography using an approach based on the variational autoencoder. The approach is evaluated with numerical simulations and compared to the solution of the inverse problem using a Bayesian approach.

Deep Learning (DL) methods have emerged as one of the most powerful tools for functional approximation and prediction. While the representation properties of DL have been well studied, uncertainty quantification remains challenging and largely unexplored. Data augmentation techniques are a natural approach to provide uncertainty quantification and to incorporate stochastic Monte Carlo search into stochastic gradient descent (SGD) methods. The purpose of our paper is to show that training DL architectures with data augmentation leads to efficiency gains. We use the theory of scale mixtures of normals to derive data augmentation strategies for deep learning. This allows variants of the expectation-maximization and MCMC algorithms to be brought to bear on these high dimensional nonlinear deep learning models. To demonstrate our methodology, we develop data augmentation algorithms for a variety of commonly used activation functions: logit, ReLU, leaky ReLU and SVM. Our methodology is compared to traditional stochastic gradient descent with back-propagation. Our optimization procedure leads to a version of iteratively re-weighted least squares and can be implemented at scale with accelerated linear algebra methods providing substantial improvement in speed. We illustrate our methodology on a number of standard datasets. Finally, we conclude with directions for future research.

Online imitation learning is the problem of how best to mimic expert demonstrations, given access to the environment or an accurate simulator. Prior work has shown that in the infinite sample regime, exact moment matching achieves value equivalence to the expert policy. However, in the finite sample regime, even if one has no optimization error, empirical variance can lead to a performance gap that scales with $H^2 / N$ for behavioral cloning and $H / \sqrt{N}$ for online moment matching, where $H$ is the horizon and $N$ is the size of the expert dataset. We introduce the technique of replay estimation to reduce this empirical variance: by repeatedly executing cached expert actions in a stochastic simulator, we compute a smoother expert visitation distribution estimate to match. In the presence of general function approximation, we prove a meta theorem reducing the performance gap of our approach to the parameter estimation error for offline classification (i.e. learning the expert policy). In the tabular setting or with linear function approximation, our meta theorem shows that the performance gap incurred by our approach achieves the optimal $\widetilde{O} \left( \min({H^{3/2}} / {N}, {H} / {\sqrt{N}} \right)$ dependency, under significantly weaker assumptions compared to prior work. We implement multiple instantiations of our approach on several continuous control tasks and find that we are able to significantly improve policy performance across a variety of dataset sizes.

We propose the use of a conjecturing machine that generates feature relationships in the form of bounds involving nonlinear terms for numerical features and boolean expressions for categorical features. The proposed \textsc{Conjecturing} framework recovers known nonlinear and boolean relationships among features from data. In both settings, true underlying relationships are revealed. We then compare the method to a previously-proposed framework for symbolic regression and demonstrate that it can also be used to recover equations that are satisfied among features in a dataset. The framework is then applied to patient-level data regarding COVID-19 outcomes to suggest possible risk factors that are confirmed in medical literature.

Quantum machine learning is an emerging field at the intersection of machine learning and quantum computing. Classical cross entropy plays a central role in machine learning. We define its quantum generalization, the quantum cross entropy, prove its lower bounds, and investigate its relation to quantum fidelity. In the classical case, minimizing cross entropy is equivalent to maximizing likelihood. In the quantum case, when the quantum cross entropy is constructed from quantum data undisturbed by quantum measurements, this relation holds. Classical cross entropy is equal to negative log-likelihood. When we obtain quantum cross entropy through empirical density matrix based on measurement outcomes, the quantum cross entropy is lower-bounded by negative log-likelihood. These two different scenarios illustrate the information loss when making quantum measurements. We conclude that to achieve the goal of full quantum machine learning, it is crucial to utilize the deferred measurement principle.

Graphical models, used to express conditional dependence between random variables observed at various nodes, are used extensively in many fields such as genetics, neuroscience, and social network analysis. While most current statistical methods for estimating graphical models focus on scalar data, there is interest in estimating analogous dependence structures when the data observed at each node are functional, such as signals or images. In this paper, we propose a fully Bayesian regularization scheme for estimating functional graphical models. We first consider a direct Bayesian analog of the functional graphical lasso proposed by Qiao et al. (2019). We then propose a regularization strategy via the graphical horseshoe. We compare these approaches via simulation study and apply our proposed functional graphical horseshoe to two motivating applications, electroencephalography data for comparing brain activation between an alcoholic group and controls, as well as changes in structural connectivity in the presence of traumatic brain injury (TBI). Our results yield insight into how the brain attempts to compensate for disconnected networks after injury.

Despite the non-convex optimization landscape, over-parametrized shallow networks are able to achieve global convergence under gradient descent. The picture can be radically different for narrow networks, which tend to get stuck in badly-generalizing local minima. Here we investigate the cross-over between these two regimes in the high-dimensional setting, and in particular investigate the connection between the so-called mean-field/hydrodynamic regime and the seminal approach of Saad & Solla. Focusing on the case of Gaussian data, we study the interplay between the learning rate, the time scale, and the number of hidden units in the high-dimensional dynamics of stochastic gradient descent (SGD). Our work builds on a deterministic description of SGD in high-dimensions from statistical physics, which we extend and for which we provide rigorous convergence rates.

Distributed statistical learning problems arise commonly when dealing with large datasets. In this setup, datasets are partitioned over machines, which compute locally, and communicate short messages. Communication is often the bottleneck. In this paper, we study one-step and iterative weighted parameter averaging in statistical linear models under data parallelism. We do linear regression on each machine, send the results to a central server, and take a weighted average of the parameters. Optionally, we iterate, sending back the weighted average and doing local ridge regressions centered at it. How does this work compared to doing linear regression on the full data? Here we study the performance loss in estimation, test error, and confidence interval length in high dimensions, where the number of parameters is comparable to the training data size. We find the performance loss in one-step weighted averaging, and also give results for iterative averaging. We also find that different problems are affected differently by the distributed framework. Estimation error and confidence interval length increase a lot, while prediction error increases much less. We rely on recent results from random matrix theory, where we develop a new calculus of deterministic equivalents as a tool of broader interest.

Weak Supervision (WS) techniques allow users to efficiently create large training datasets by programmatically labeling data with heuristic sources of supervision. While the success of WS relies heavily on the provided labeling heuristics, the process of how these heuristics are created in practice has remained under-explored. In this work, we formalize the development process of labeling heuristics as an interactive procedure, built around the existing workflow where users draw ideas from a selected set of development data for designing the heuristic sources. With the formalism, we study two core problems of how to strategically select the development data to guide users in efficiently creating informative heuristics, and how to exploit the information within the development process to contextualize and better learn from the resultant heuristics. Building upon two novel methodologies that effectively tackle the respective problems considered, we present Nemo, an end-to-end interactive system that improves the overall productivity of WS learning pipeline by an average 20% (and up to 47% in one task) compared to the prevailing WS approach.

When sampling for Bayesian inference, one popular approach is to use Hamiltonian Monte Carlo (HMC) and specifically the No-U-Turn Sampler (NUTS) which automatically decides the end time of the Hamiltonian trajectory. However, HMC and NUTS can require numerous numerical gradients of the target density, and can prove slow in practice. We propose Hamiltonian neural networks (HNNs) with HMC and NUTS for solving Bayesian inference problems. Once trained, HNNs do not require numerical gradients of the target density during sampling. Moreover, they satisfy important properties such as perfect time reversibility and Hamiltonian conservation, making them well-suited for use within HMC and NUTS because stationarity can be shown. We also propose an HNN extension called latent HNNs (L-HNNs), which are capable of predicting latent variable outputs. Compared to HNNs, L-HNNs offer improved expressivity and reduced integration errors. Finally, we employ L-HNNs in NUTS with an online error monitoring scheme to prevent sample degeneracy in regions of low probability density. We demonstrate L-HNNs in NUTS with online error monitoring on several examples involving complex, heavy-tailed, and high-local-curvature probability densities. Overall, L-HNNs in NUTS with online error monitoring satisfactorily inferred these probability densities. Compared to traditional NUTS, L-HNNs in NUTS with online error monitoring required 1--2 orders of magnitude fewer numerical gradients of the target density and improved the effective sample size (ESS) per gradient by an order of magnitude.

We investigate nonlinear instrumental variable (IV) regression given high-dimensional instruments. We propose a simple algorithm which combines kernelized IV methods and an arbitrary, adaptive regression algorithm, accessed as a black box. Our algorithm enjoys faster-rate convergence and adapts to the dimensionality of informative latent features, while avoiding an expensive minimax optimization procedure, which has been necessary to establish similar guarantees. It further brings the benefit of flexible machine learning models to quasi-Bayesian uncertainty quantification, likelihood-based model selection, and model averaging. Simulation studies demonstrate the competitive performance of our method.

Elimination algorithms for bandit identification, which prune the plausible correct answers sequentially until only one remains, are computationally convenient since they reduce the problem size over time. However, existing elimination strategies are often not fully adaptive (they update their sampling rule infrequently) and are not easy to extend to combinatorial settings, where the set of answers is exponentially large in the problem dimension. On the other hand, most existing fully-adaptive strategies to tackle general identification problems are computationally demanding since they repeatedly test the correctness of every answer, without ever reducing the problem size. We show that adaptive methods can be modified to use elimination in both their stopping and sampling rules, hence obtaining the best of these two worlds: the algorithms (1) remain fully adaptive, (2) suffer a sample complexity that is never worse of their non-elimination counterpart, and (3) provably eliminate certain wrong answers early. We confirm these benefits experimentally, where elimination improves significantly the computational complexity of adaptive methods on common tasks like best-arm identification in linear bandits.

We propose generative multitask learning (GMTL), a simple and scalable approach to causal representation learning for multitask learning. Our approach makes a minor change to the conventional multitask inference objective, and improves robustness to target shift. Since GMTL only modifies the inference objective, it can be used with existing multitask learning methods without requiring additional training. The improvement in robustness comes from mitigating unobserved confounders that cause the targets, but not the input. We refer to them as \emph{target-causing confounders}. These confounders induce spurious dependencies between the input and targets. This poses a problem for conventional multitask learning, due to its assumption that the targets are conditionally independent given the input. GMTL mitigates target-causing confounding at inference time, by removing the influence of the joint target distribution, and predicting all targets jointly. This removes the spurious dependencies between the input and targets, where the degree of removal is adjustable via a single hyperparameter. This flexibility is useful for managing the trade-off between in- and out-of-distribution generalization. Our results on the Attributes of People and Taskonomy datasets reflect an improved robustness to target shift across four multitask learning methods.

In probably approximately correct (PAC) reinforcement learning (RL), an agent is required to identify an $\epsilon$-optimal policy with probability $1-\delta$. While minimax optimal algorithms exist for this problem, its instance-dependent complexity remains elusive in episodic Markov decision processes (MDPs). In this paper, we propose the first nearly matching (up to a horizon squared factor and logarithmic terms) upper and lower bounds on the sample complexity of PAC RL in deterministic episodic MDPs with finite state and action spaces. In particular, our bounds feature a new notion of sub-optimality gap for state-action pairs that we call the deterministic return gap. While our instance-dependent lower bound is written as a linear program, our algorithms are very simple and do not require solving such an optimization problem during learning. Their design and analyses employ novel ideas, including graph-theoretical concepts (minimum flows) and a new maximum-coverage exploration strategy.

This work explores the effect of noisy sample selection in active learning strategies. We show on both synthetic problems and real-life use-cases that knowledge of the sample noise can significantly improve the performance of active learning strategies. Building on prior work, we propose a robust sampler, Incremental Weighted K-Means that brings significant improvement on the synthetic tasks but only a marginal uplift on real-life ones. We hope that the questions raised in this paper are of interest to the community and could open new paths for active learning research.

Quantum Generative Modelling (QGM) relies on preparing quantum states and generating samples from these states as hidden - or known - probability distributions. As distributions from some classes of quantum states (circuits) are inherently hard to sample classically, QGM represents an excellent testbed for quantum supremacy experiments. Furthermore, generative tasks are increasingly relevant for industrial machine learning applications, and thus QGM is a strong candidate for demonstrating a practical quantum advantage. However, this requires that quantum circuits are trained to represent industrially relevant distributions, and the corresponding training stage has an extensive training cost for current quantum hardware in practice. In this work, we propose protocols for classical training of QGMs based on circuits of the specific type that admit an efficient gradient computation, while remaining hard to sample. In particular, we consider Instantaneous Quantum Polynomial (IQP) circuits and their extensions. Showing their classical simulability in terms of the time complexity, sparsity and anti-concentration properties, we develop a classically tractable way of simulating their output probability distributions, allowing classical training to a target probability distribution. The corresponding quantum sampling from IQPs can be performed efficiently, unlike when using classical sampling. We numerically demonstrate the end-to-end training of IQP circuits using probability distributions for up to 30 qubits on a regular desktop computer. When applied to industrially relevant distributions this combination of classical training with quantum sampling represents an avenue for reaching advantage in the NISQ era.

Successful applications of InfoNCE and its variants have popularized the use of contrastive variational mutual information (MI) estimators in machine learning. While featuring superior stability, these estimators crucially depend on costly large-batch training, and they sacrifice bound tightness for variance reduction. To overcome these limitations, we revisit the mathematics of popular variational MI bounds from the lens of unnormalized statistical modeling and convex optimization. Our investigation not only yields a new unified theoretical framework encompassing popular variational MI bounds but also leads to a novel, simple, and powerful contrastive MI estimator named as FLO. Theoretically, we show that the FLO estimator is tight, and it provably converges under stochastic gradient descent. Empirically, our FLO estimator overcomes the limitations of its predecessors and learns more efficiently. The utility of FLO is verified using an extensive set of benchmarks, which also reveals the trade-offs in practical MI estimation.

When hyperparameter optimization of a machine learning algorithm is repeated for multiple datasets it is possible to transfer knowledge to an optimization run on a new dataset. We develop a new hyperparameter-free ensemble model for Bayesian optimization that is a generalization of two existing transfer learning extensions to Bayesian optimization and establish a worst-case bound compared to vanilla Bayesian optimization. Using a large collection of hyperparameter optimization benchmark problems, we demonstrate that our contributions substantially reduce optimization time compared to standard Gaussian process-based Bayesian optimization and improve over the current state-of-the-art for transfer hyperparameter optimization.

We provide adaptive inference methods, based on $\ell_1$ regularization, for regular (semi-parametric) and non-regular (nonparametric) linear functionals of the conditional expectation function. Examples of regular functionals include average treatment effects, policy effects, and derivatives. Examples of non-regular functionals include average treatment effects, policy effects, and derivatives conditional on a covariate subvector fixed at a point. We construct a Neyman orthogonal equation for the target parameter that is approximately invariant to small perturbations of the nuisance parameters. To achieve this property, we include the Riesz representer for the functional as an additional nuisance parameter. Our analysis yields weak ``double sparsity robustness'': either the approximation to the regression or the approximation to the representer can be ``completely dense'' as long as the other is sufficiently ``sparse''. Our main results are non-asymptotic and imply asymptotic uniform validity over large classes of models, translating into honest confidence bands for both global and local parameters.

In this paper, we explore adaptive inference based on variational Bayes. Although several studies have been conducted to analyze the contraction properties of variational posteriors, there is still a lack of a general and computationally tractable variational Bayes method that performs adaptive inference. To fill this gap, we propose a novel adaptive variational Bayes framework, which can operate on a collection of models. The proposed framework first computes a variational posterior over each individual model separately and then combines them with certain weights to produce a variational posterior over the entire model. It turns out that this combined variational posterior is the closest member to the posterior over the entire model in a predefined family of approximating distributions. We show that the adaptive variational Bayes attains optimal contraction rates adaptively under very general conditions. In addition, we provide a methodology to maintain the tractability and adaptive optimality of the adaptive variational Bayes even in the presence of an enormous number of individual models, such as sparse models. We apply the general results to several examples, including deep learning and sparse factor models, and derive new and adaptive inference results. Moreover, we consider the use of quasi-likelihoods in our framework. We formulate theoretical conditions on quasi-likelihoods to ensure adaptive concentration and discuss specific applications to stochastic block models and nonparametric regression with sub-Gaussian errors.

The application of machine learning in sciences has seen exciting advances in recent years. As a widely-applicable technique, anomaly detection has been long studied in the machine learning community. Especially, deep neural nets-based out-of-distribution detection has made great progress for high-dimensional data. Recently, these techniques have been showing their potential in scientific disciplines. We take a critical look at their applicative prospects including data universality, experimental protocols, model robustness, etc. We discuss examples that display transferable practices and domain-specific challenges simultaneously, providing a starting point for establishing a novel interdisciplinary research paradigm in the near future.

Model-free learning for multi-agent stochastic games is an active area of research. Existing reinforcement learning algorithms, however, are often restricted to zero-sum games, and are applicable only in small state-action spaces or other simplified settings. Here, we develop a new data efficient Deep-Q-learning methodology for model-free learning of Nash equilibria for general-sum stochastic games. The algorithm uses a local linear-quadratic expansion of the stochastic game, which leads to analytically solvable optimal actions. The expansion is parametrized by deep neural networks to give it sufficient flexibility to learn the environment without the need to experience all state-action pairs. We study symmetry properties of the algorithm stemming from label-invariant stochastic games and as a proof of concept, apply our algorithm to learning optimal trading strategies in competitive electronic markets.

We propose estimators based on kernel ridge regression for nonparametric causal functions such as dose, heterogeneous, and incremental response curves. Treatment and covariates may be discrete or continuous in general spaces. Due to a decomposition property specific to the RKHS, our estimators have simple closed form solutions. We prove uniform consistency with finite sample rates via original analysis of generalized kernel ridge regression. We extend our main results to counterfactual distributions and to causal functions identified by front and back door criteria. We achieve state-of-the-art performance in nonlinear simulations with many covariates, and conduct a policy evaluation of the US Job Corps training program for disadvantaged youths.

Score matching (SM) is a convenient method for training flexible probabilistic models, which is often preferred over the traditional maximum-likelihood (ML) approach. However, these models are less interpretable than normalized models; as such, training robustness is in general difficult to assess. We present a critical study of existing variational SM objectives, showing catastrophic failure on a wide range of datasets and network architectures. Our theoretical insights on the objectives emerge directly from their equivalent autoencoding losses when optimizing variational autoencoder (VAE) models. First, we show that in the Fisher autoencoder, SM produces far worse models than maximum-likelihood, and approximate inference by Fisher divergence can lead to low-density local optima. However, with important modifications, this objective reduces to a regularized autoencoding loss that resembles the evidence lower bound (ELBO). This analysis predicts that the modified SM algorithm should behave very similarly to ELBO on Gaussian VAEs. We then review two other FD-based objectives from the literature and show that they reduce to uninterpretable autoencoding losses, likely leading to poor performance. The experiments verify our theoretical predictions and suggest that only ELBO and the baseline objective robustly produce expected results, while previously proposed SM methods do not.

Pharmaceutical researchers are continually searching for techniques to improve both drug development processes and patient outcomes. An area of recent interest is the potential for machine learning applications within pharmacology. One such application not yet given close study is the unsupervised clustering of plasma concentration-time curves, hereafter, pharmacokinetic (PK) curves. This can be done by treating a PK curve as a time series object and subsequently utilizing the extensive body of research related to the clustering of time series data objects. In this paper, we introduce hierarchical clustering within the context of clustering PK curves and find it to be effective at identifying similar-shaped PK curves and informative for understanding patterns of PK curves via its dendrogram data visualization. We also examine many dissimilarity measures between time series objects to identify Euclidean distance as generally most appropriate for clustering PK curves. We further show that dynamic time warping, Fr\'echet, and structure-based measures of dissimilarity like correlation may produce unexpected results. Finally, we apply these methods to a dataset of 250 PK curves as an illustrative case study to demonstrate how the clustering of PK curves can be used as a descriptive tool for summarizing and visualizing complex PK data, which may enhance the study of pharmacogenomics in the context of precision medicine.

We consider novelty detection in time series with unknown and nonparametric probability structures. A deep learning approach is proposed to causally extract an innovations sequence consisting of novelty samples statistically independent of all past samples of the time series. A novelty detection algorithm is developed for the online detection of novel changes in the probability structure in the innovations sequence. A minimax optimality under a Bayes risk measure is established for the proposed novelty detection method, and its robustness and efficacy are demonstrated in experiments using real and synthetic datasets.

Sampling from a target measure whose density is only known up to a normalization constant is a fundamental problem in computational statistics and machine learning. In this paper, we present a new optimization-based method for sampling called mollified interaction energy descent (MIED). MIED minimizes a new class of energies on probability measures called mollified interaction energies (MIEs). These energies rely on mollifier functions -- smooth approximations of the Dirac delta originated from PDE theory. We show that as the mollifier approaches the Dirac delta, the MIE converges to the chi-square divergence with respect to the target measure and the gradient flow of the MIE agrees with that of the chi-square divergence. Optimizing this energy with proper discretization yields a practical first-order particle-based algorithm for sampling in both unconstrained and constrained domains. We show experimentally that for unconstrained sampling problems our algorithm performs on par with existing particle-based algorithms like SVGD, while for constrained sampling problems our method readily incorporates constrained optimization techniques to handle more flexible constraints with strong performance compared to alternatives.

We introduce a state-of-the-art real-time, high-fidelity, audio codec leveraging neural networks. It consists in a streaming encoder-decoder architecture with quantized latent space trained in an end-to-end fashion. We simplify and speed-up the training by using a single multiscale spectrogram adversary that efficiently reduces artifacts and produce high-quality samples. We introduce a novel loss balancer mechanism to stabilize training: the weight of a loss now defines the fraction of the overall gradient it should represent, thus decoupling the choice of this hyper-parameter from the typical scale of the loss. Finally, we study how lightweight Transformer models can be used to further compress the obtained representation by up to 40%, while staying faster than real time. We provide a detailed description of the key design choices of the proposed model including: training objective, architectural changes and a study of various perceptual loss functions. We present an extensive subjective evaluation (MUSHRA tests) together with an ablation study for a range of bandwidths and audio domains, including speech, noisy-reverberant speech, and music. Our approach is superior to the baselines methods across all evaluated settings, considering both 24 kHz monophonic and 48 kHz stereophonic audio. Code and models are available at github.com/facebookresearch/encodec.

The combination of deep neural nets and theory-driven models, which we call deep grey-box modeling, can be inherently interpretable to some extent thanks to the theory backbone. Deep grey-box models are usually learned with a regularized risk minimization to prevent a theory-driven part from being overwritten and ignored by a deep neural net. However, an estimation of the theory-driven part obtained by uncritically optimizing a regularizer can hardly be trustworthy when we are not sure what regularizer is suitable for the given data, which may harm the interpretability. Toward a trustworthy estimation of the theory-driven part, we should analyze regularizers' behavior to compare different candidates and to justify a specific choice. In this paper, we present a framework that enables us to analyze a regularizer's behavior empirically with a slight change in the neural net's architecture and the training objective.

We study reward-free reinforcement learning (RL) under general non-linear function approximation, and establish sample efficiency and hardness results under various standard structural assumptions. On the positive side, we propose the RFOLIVE (Reward-Free OLIVE) algorithm for sample-efficient reward-free exploration under minimal structural assumptions, which covers the previously studied settings of linear MDPs (Jin et al., 2020b), linear completeness (Zanette et al., 2020b) and low-rank MDPs with unknown representation (Modi et al., 2021). Our analyses indicate that the explorability or reachability assumptions, previously made for the latter two settings, are not necessary statistically for reward-free exploration. On the negative side, we provide a statistical hardness result for both reward-free and reward-aware exploration under linear completeness assumptions when the underlying features are unknown, showing an exponential separation between low-rank and linear completeness settings.  ( 2 min )

We propose E-C2ST, a classifier two-sample test for high-dimensional data based on E-values. Compared to $p$-values-based tests, tests with E-values have finite sample guarantees for the type I error. E-C2ST combines ideas from existing work on split likelihood ratio tests and predictive independence testing. The resulting E-values incorporate information about the alternative hypothesis. We demonstrate the utility of E-C2ST on simulated and real-life data. In all experiments, we observe that when going from small to large sample sizes, as expected, E-C2ST starts with lower power compared to other methods but eventually converges towards one. Simultaneously, E-C2ST's type I error stays substantially below the chosen significance level, which is not always the case for the baseline methods. Finally, we use an MRI dataset to demonstrate that multiplying E-values from multiple independently conducted studies leads to a combined E-value that retains the finite sample type I error guarantees while increasing the power.

This paper studies the robustness of data valuation to noisy model performance scores. Particularly, we find that the inherent randomness of the widely used stochastic gradient descent can cause existing data value notions (e.g., the Shapley value and the Leave-one-out error) to produce inconsistent data value rankings across different runs. To address this challenge, we first pose a formal framework within which one can measure the robustness of a data value notion. We show that the Banzhaf value, a value notion originated from cooperative game theory literature, achieves the maximal robustness among all semivalues -- a class of value notions that satisfy crucial properties entailed by ML applications. We propose an algorithm to efficiently estimate the Banzhaf value based on the Maximum Sample Reuse (MSR) principle. We derive the lower bound sample complexity for Banzhaf value estimation, and we show that our MSR algorithm's sample complexity is close to the lower bound. Our evaluation demonstrates that the Banzhaf value outperforms the existing semivalue-based data value notions on several downstream ML tasks such as learning with weighted samples and noisy label detection. Overall, our study suggests that when the underlying ML algorithm is stochastic, the Banzhaf value is a promising alternative to the semivalue-based data value schemes given its computational advantage and ability to robustly differentiate data quality.  ( 3 min )

More than twenty years after its introduction, Annealed Importance Sampling (AIS) remains one of the most effective methods for marginal likelihood estimation. It relies on a sequence of distributions interpolating between a tractable initial distribution and the target distribution of interest which we simulate from approximately using a non-homogeneous Markov chain. To obtain an importance sampling estimate of the marginal likelihood, AIS introduces an extended target distribution to reweight the Markov chain proposal. While much effort has been devoted to improving the proposal distribution used by AIS, an underappreciated issue is that AIS uses a convenient but suboptimal extended target distribution. We here leverage recent progress in score-based generative modeling (SGM) to approximate the optimal extended target distribution minimizing the variance of the marginal likelihood estimate for AIS proposals corresponding to the discretization of Langevin and Hamiltonian dynamics. We demonstrate these novel, differentiable, AIS procedures on a number of synthetic benchmark distributions and variational auto-encoders.  ( 2 min )

We investigate the contraction properties of locally differentially private mechanisms. More specifically, we derive tight upper bounds on the divergence between $PK$ and $QK$ output distributions of an $\epsilon$-LDP mechanism $K$ in terms of a divergence between the corresponding input distributions $P$ and $Q$, respectively. Our first main technical result presents a sharp upper bound on the $\chi^2$-divergence $\chi^2(PK\|QK)$ in terms of $\chi^2(P\|Q)$ and $\epsilon$. We also show that the same result holds for a large family of divergences, including KL-divergence and squared Hellinger distance. The second main technical result gives an upper bound on $\chi^2(PK\|QK)$ in terms of total variation distance $TV(P, Q)$ and $\epsilon$. We then utilize these bounds to establish locally private versions of the Cram\'er-Rao bound, Le Cam's, Assouad's, and the mutual information methods, which are powerful tools for bounding minimax estimation risks. These results are shown to lead to better privacy analyses than the state-of-the-arts in several statistical problems such as entropy and discrete distribution estimation, non-parametric density estimation, and hypothesis testing.

In machine learning, the selection of a promising model from a potentially large number of competing models and the assessment of its generalization performance are critical tasks that need careful consideration. Typically, model selection and evaluation are strictly separated endeavors, splitting the sample at hand into a training, validation, and evaluation set, and only compute a single confidence interval for the prediction performance of the final selected model. We however propose an algorithm how to compute valid lower confidence bounds for multiple models that have been selected based on their prediction performances in the evaluation set by interpreting the selection problem as a simultaneous inference problem. We use bootstrap tilting and a maxT-type multiplicity correction. The approach is universally applicable for any combination of prediction models, any model selection strategy, and any prediction performance measure that accepts weights. We conducted various simulation experiments which show that our proposed approach yields lower confidence bounds that are at least comparably good as bounds from standard approaches, and that reliably reach the nominal coverage probability. In addition, especially when sample size is small, our proposed approach yields better performing prediction models than the default selection of only one model for evaluation does.  ( 3 min )

This paper introduces a new principled approach for offline policy optimisation in contextual bandits. For two well-established risk estimators, we propose novel generalisation bounds able to confidently improve upon the logging policy offline. Unlike previous work, our approach does not require tuning hyperparameters on held-out sets, and enables deployment with no prior A/B testing. This is achieved by analysing the problem through the PAC-Bayesian lens; mainly, we let go of traditional policy parametrisation (e.g. softmax) and instead interpret the policies as mixtures of deterministic strategies. We demonstrate through extensive experiments evidence of our bounds tightness and the effectiveness of our approach in practical scenarios.  ( 2 min )

We introduce a new Langevin dynamics based algorithm, called e-TH$\varepsilon$O POULA, to solve optimization problems with discontinuous stochastic gradients which naturally appear in real-world applications such as quantile estimation, vector quantization, CVaR minimization, and regularized optimization problems involving ReLU neural networks. We demonstrate both theoretically and numerically the applicability of the e-TH$\varepsilon$O POULA algorithm. More precisely, under the conditions that the stochastic gradient is locally Lipschitz in average and satisfies a certain convexity at infinity condition, we establish non-asymptotic error bounds for e-TH$\varepsilon$O POULA in Wasserstein distances and provide a non-asymptotic estimate for the expected excess risk, which can be controlled to be arbitrarily small. Three key applications in finance and insurance are provided, namely, multi-period portfolio optimization, transfer learning in multi-period portfolio optimization, and insurance claim prediction, which involve neural networks with (Leaky)-ReLU activation functions. Numerical experiments conducted using real-world datasets illustrate the superior empirical performance of e-TH$\varepsilon$O POULA compared to SGLD, ADAM, and AMSGrad in terms of model accuracy.  ( 2 min )

We propose Deep Kronecker Network (DKN), a novel framework designed for analyzing medical imaging data, such as MRI, fMRI, CT, etc. Medical imaging data is different from general images in at least two aspects: i) sample size is usually much more limited, ii) model interpretation is more of a concern compared to outcome prediction. Due to its unique nature, general methods, such as convolutional neural network (CNN), are difficult to be directly applied. As such, we propose DKN, that is able to i) adapt to low sample size limitation, ii) provide desired model interpretation, and iii) achieve the prediction power as CNN. The DKN is general in the sense that it not only works for both matrix and (high-order) tensor represented image data, but also could be applied to both discrete and continuous outcomes. The DKN is built on a Kronecker product structure and implicitly imposes a piecewise smooth property on coefficients. Moreover, the Kronecker structure can be written into a convolutional form, so DKN also resembles a CNN, particularly, a fully convolutional network (FCN). Furthermore, we prove that with an alternating minimization algorithm, the solutions of DKN are guaranteed to converge to the truth geometrically even if the objective function is highly nonconvex. Interestingly, the DKN is also highly connected to the tensor regression framework proposed by Zhou et al. (2010), where a CANDECOMP/PARAFAC (CP) low-rank structure is imposed on tensor coefficients. Finally, we conduct both classification and regression analyses using real MRI data from the Alzheimer's Disease Neuroimaging Initiative (ADNI) to demonstrate the effectiveness of DKN.  ( 2 min )

Coupled matrix and tensor factorizations (CMTF) have emerged as an effective data fusion tool to jointly analyze data sets in the form of matrices and higher-order tensors. The PARAFAC2 model has shown to be a promising alternative to the CANDECOMP/PARAFAC (CP) tensor model due to its flexibility and capability to handle irregular/ragged tensors. While fusion models based on a PARAFAC2 model coupled with matrix/tensor decompositions have been recently studied, they are limited in terms of possible regularizations and/or types of coupling between data sets. In this paper, we propose an algorithmic framework for fitting PARAFAC2-based CMTF models with the possibility of imposing various constraints on all modes and linear couplings, using Alternating Optimization (AO) and the Alternating Direction Method of Multipliers (ADMM). Through numerical experiments, we demonstrate that the proposed algorithmic approach accurately recovers the underlying patterns using various constraints and linear couplings.  ( 2 min )

Most supervised machine learning tasks are subject to irreducible prediction errors. Probabilistic predictive models address this limitation by providing probability distributions that represent a belief over plausible targets, rather than point estimates. Such models can be a valuable tool in decision-making under uncertainty, provided that the model output is meaningful and interpretable. Calibrated models guarantee that the probabilistic predictions are neither over- nor under-confident. In the machine learning literature, different measures and statistical tests have been proposed and studied for evaluating the calibration of classification models. For regression problems, however, research has been focused on a weaker condition of calibration based on predicted quantiles for real-valued targets. In this paper, we propose the first framework that unifies calibration evaluation and tests for general probabilistic predictive models. It applies to any such model, including classification and regression models of arbitrary dimension. Furthermore, the framework generalizes existing measures and provides a more intuitive reformulation of a recently proposed framework for calibration in multi-class classification. In particular, we reformulate and generalize the kernel calibration error, its estimators, and hypothesis tests using scalar-valued kernels, and evaluate the calibration of real-valued regression problems.  ( 2 min )

Domain adaptation arises as an important problem in statistical learning theory when the data-generating processes differ between training and test samples, respectively called source and target domains. Recent theoretical advances show that the success of domain adaptation algorithms heavily relies on their ability to minimize the divergence between the probability distributions of the source and target domains. However, minimizing this divergence cannot be done independently of the minimization of other key ingredients such as the source risk or the combined error of the ideal joint hypothesis. The trade-off between these terms is often ensured by algorithmic solutions that remain implicit and not directly reflected by the theoretical guarantees. To get to the bottom of this issue, we propose in this paper a new theoretical framework for domain adaptation through hierarchical optimal transport. This framework provides more explicit generalization bounds and allows us to consider the natural hierarchical organization of samples in both domains into classes or clusters. Additionally, we provide a new divergence measure between the source and target domains called Hierarchical Wasserstein distance that indicates under mild assumptions, which structures have to be aligned to lead to a successful adaptation.  ( 2 min )

Meta-learning aims to extract useful inductive biases from a set of related datasets. In Bayesian meta-learning, this is typically achieved by constructing a prior distribution over neural network parameters. However, specifying families of computationally viable prior distributions over the high-dimensional neural network parameters is difficult. As a result, existing approaches resort to meta-learning restrictive diagonal Gaussian priors, severely limiting their expressiveness and performance. To circumvent these issues, we approach meta-learning through the lens of functional Bayesian neural network inference, which views the prior as a stochastic process and performs inference in the function space. Specifically, we view the meta-training tasks as samples from the data-generating process and formalize meta-learning as empirically estimating the law of this stochastic process. Our approach can seamlessly acquire and represent complex prior knowledge by meta-learning the score function of the data-generating process marginals instead of parameter space priors. In a comprehensive benchmark, we demonstrate that our method achieves state-of-the-art performance in terms of predictive accuracy and substantial improvements in the quality of uncertainty estimates.  ( 2 min )

Equivariant networks capture the inductive bias about the symmetry of the learning task by building those symmetries into the model. In this paper, we study how equivariance relates to generalization error utilizing PAC Bayesian analysis for equivariant networks, where the transformation laws of feature spaces are determined by group representations. By using perturbation analysis of equivariant networks in Fourier domain for each layer, we derive norm-based PAC-Bayesian generalization bounds. The bound characterizes the impact of group size, and multiplicity and degree of irreducible representations on the generalization error and thereby provide a guideline for selecting them. In general, the bound indicates that using larger group size in the model improves the generalization error substantiated by extensive numerical experiments.  ( 2 min )

Contrastive Learning has recently achieved state-of-the-art performance in a wide range of tasks. Many contrastive learning approaches use mined hard negatives to make batches more informative during training but these approaches are inefficient as they increase epoch length proportional to the number of mined negatives and require frequent updates of nearest neighbor indices or mining from recent batches. In this work, we provide an alternative to hard negative mining in supervised contrastive learning, Tail Batch Sampling (TBS), an efficient approximation to the batch assignment problem that upper bounds the gap between the global and training losses, $\mathcal{L}^{Global} - \mathcal{L}^{Train}$. TBS \textbf{improves state-of-the-art performance} in sentence embedding (+0.37 Spearman) and code-search tasks (+2.2\% MRR), is easy to implement - requiring only a few additional lines of code, does not maintain external data structures such as nearest neighbor indices, is more computationally efficient when compared to the most minimal hard negative mining approaches, and makes no changes to the model being trained.  ( 2 min )

In this paper we discuss an application of Stochastic Approximation to statistical estimation of high-dimensional sparse parameters. The proposed solution reduces to resolving a penalized stochastic optimization problem on each stage of a multistage algorithm; each problem being solved to a prescribed accuracy by the non-Euclidean Composite Stochastic Mirror Descent (CSMD) algorithm. Assuming that the problem objective is smooth and quadratically minorated and stochastic perturbations are sub-Gaussian, our analysis prescribes the method parameters which ensure fast convergence of the estimation error (the radius of a confidence ball of a given norm around the approximate solution). This convergence is linear during the first "preliminary" phase of the routine and is sublinear during the second "asymptotic" phase. We consider an application of the proposed approach to sparse Generalized Linear Regression problem. In this setting, we show that the proposed algorithm attains the optimal convergence of the estimation error under weak assumptions on the regressor distribution. We also present a numerical study illustrating the performance of the algorithm on high-dimensional simulation data.  ( 2 min )

Multi-agent interactions are increasingly important in the context of reinforcement learning, and the theoretical foundations of policy gradient methods have attracted surging research interest. We investigate the global convergence of natural policy gradient (NPG) algorithms in multi-agent learning. We first show that vanilla NPG may not have parameter convergence, i.e., the convergence of the vector that parameterizes the policy, even when the costs are regularized (which enabled strong convergence guarantees in the policy space in the literature). This non-convergence of parameters leads to stability issues in learning, which becomes especially relevant in the function approximation setting, where we can only operate on low-dimensional parameters, instead of the high-dimensional policy. We then propose variants of the NPG algorithm, for several standard multi-agent learning scenarios: two-player zero-sum matrix and Markov games, and multi-player monotone games, with global last-iterate parameter convergence guarantees. We also generalize the results to certain function approximation settings. Note that in our algorithms, the agents take symmetric roles. Our results might also be of independent interest for solving nonconvex-nonconcave minimax optimization problems with certain structures. Simulations are also provided to corroborate our theoretical findings.  ( 2 min )

Modelling the density $p(x)$ by probabilistic generative models is an intuitive way to detect out-of-distribution (OOD) data, but it fails in the deep learning context. In this paper, we list some falsehoods that machine learning researchers believe about density-based OOD detection. Many recent works have proposed likelihood-ratio-based methods to `fix' this issue. We propose a framework, the OOD proxy framework, to unify these methods, and we argue that likelihood ratio is a principled method for OOD detection and not a mere `fix'. Finally, we discuss the relationship between domain detection and semantics.  ( 2 min )

In high-dimensional classification problems, a commonly used approach is to first project the high-dimensional features into a lower dimensional space, and base the classification on the resulting lower dimensional projections. In this paper, we formulate a latent-variable model with a hidden low-dimensional structure to justify this two-step procedure and to guide which projection to choose. We propose a computationally efficient classifier that takes certain principal components (PCs) of the observed features as projections, with the number of retained PCs selected in a data-driven way. A general theory is established for analyzing such two-step classifiers based on any projections. We derive explicit rates of convergence of the excess risk of the proposed PC-based classifier. The obtained rates are further shown to be optimal up to logarithmic factors in the minimax sense. Our theory allows the lower-dimension to grow with the sample size and is also valid even when the feature dimension (greatly) exceeds the sample size. Extensive simulations corroborate our theoretical findings. The proposed method also performs favorably relative to other existing discriminant methods on three real data examples.  ( 2 min )

Multi-domain data is becoming increasingly common and presents both challenges and opportunities in the data science community. The integration of distinct data-views can be used for exploratory data analysis, and benefit downstream analysis including machine learning related tasks. With this in mind, we present a novel manifold alignment method called MALI (Manifold alignment with label information) that learns a correspondence between two distinct domains. MALI can be considered as belonging to a middle ground between the more commonly addressed semi-supervised manifold alignment problem with some known correspondences between the two domains, and the purely unsupervised case, where no known correspondences are provided. To do this, MALI learns the manifold structure in both domains via a diffusion process and then leverages discrete class labels to guide the alignment. By aligning two distinct domains, MALI recovers a pairing and a common representation that reveals related samples in both domains. Additionally, MALI can be used for the transfer learning problem known as domain adaptation. We show that MALI outperforms the current state-of-the-art manifold alignment methods across multiple datasets.  ( 2 min )

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.  ( 2 min )

We propose to directly compute classification estimates by learning features encoded with their class scores. Our resulting model has a encoder-decoder structure suitable for supervised learning, it is computationally efficient and performs well for classification on several datasets.  ( 2 min )

Reversible jump Markov chain Monte Carlo (RJMCMC) proposals that achieve reasonable acceptance rates and mixing are notoriously difficult to design in most applications. Inspired by recent advances in deep neural network-based normalizing flows and density estimation, we demonstrate an approach to enhance the efficiency of RJMCMC sampling by performing transdimensional jumps involving reference distributions. In contrast to other RJMCMC proposals, the proposed method is the first to apply a non-linear transport-based approach to construct efficient proposals between models with complicated dependency structures. It is shown that, in the setting where exact transports are used, our RJMCMC proposals have the desirable property that the acceptance probability depends only on the model probabilities. Numerical experiments demonstrate the efficacy of the approach.  ( 2 min )

Convolutional deep sets are the architecture of a deep neural network (DNN) that can model stationary stochastic process. This architecture uses the kernel smoother and the DNN to construct the translation equivariant functional representations, and thus reflects the inductive bias of the stationarity into DNN. However, since this architecture employs the kernel smoother known as the non-parametric model, it may produce ambiguous representations when the number of data points is not given sufficiently. To remedy this issue, we introduce Bayesian convolutional deep sets that construct the random translation equivariant functional representations with stationary prior. Furthermore, we present how to impose the task-dependent prior for each dataset because a wrongly imposed prior forms an even worse representation than that of the kernel smoother. We validate the proposed architecture and its training on various experiments with time-series and image datasets.  ( 2 min )

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e. objective function queries) with maximal expected utility with respect to the posterior distribution of a Bayesian model, which quantifies reducible, epistemic uncertainty about query outcomes. In practice, subjectively implausible outcomes can occur regularly for two reasons: 1) model misspecification and 2) covariate shift. Conformal prediction is an uncertainty quantification method with coverage guarantees even for misspecified models and a simple mechanism to correct for covariate shift. We propose conformal Bayesian optimization, which directs queries towards regions of search space where the model predictions have guaranteed validity, and investigate its behavior on a suite of black-box optimization tasks and tabular ranking tasks. In many cases we find that query coverage can be significantly improved without harming sample-efficiency.  ( 2 min )

One-class classification (OCC) is the problem of deciding whether an observed sample belongs to a target class or not. We consider the problem of learning an OCC model when the dataset available at the learning stage contains only samples from the target class. We aim at obtaining a classifier that performs as the generalized likelihood ratio test (GLRT), which is a well-known and provably optimal (under specific assumptions) classifier when the statistic of the target class is available. To this end, we consider both the multilayer perceptron neural network (NN) and the support vector machine (SVM) models. They are trained as two-class classifiers using an artificial dataset for the alternative class, obtained by generating random samples, uniformly over the domain of the target-class dataset. We prove that, under suitable assumptions, the models converge (with a large dataset) to the GLRT. Moreover, we show that the one-class least squares SVM (OCLSSVM) at convergence performs as the GLRT, with a suitable transformation function. Lastly, we compare the obtained solutions with the autoencoder (AE) classifier, which does not in general provide the GLRT  ( 2 min )

Many real-world strategic games involve interactions between multiple players. We study a hierarchical multi-player game structure, where players with asymmetric roles can be separated into leaders and followers, a setting often referred to as Stackelberg game or leader-follower game. In particular, we focus on a Stackelberg game scenario where there are multiple leaders and a single follower, called the Multi-Leader-Single-Follower (MLSF) game. We propose a novel asymmetric equilibrium concept for the MLSF game called Correlated Stackelberg Equilibrium (CSE). We design online learning algorithms that enable the players to interact in a distributed manner, and prove that it can achieve no-external Stackelberg-regret learning. This further translates to the convergence to approximate CSE via a reduction from no-external regret to no-swap regret. At the core of our works, we solve the intricate problem of how to learn equilibrium in leader-follower games with noisy bandit feedback by balancing exploration and exploitation in different learning structures.  ( 2 min )

We study the problem of multi-task non-smooth optimization that arises ubiquitously in statistical learning, decision-making and risk management. We develop a data fusion approach that adaptively leverages commonalities among a large number of objectives to improve sample efficiency while tackling their unknown heterogeneities. We provide sharp statistical guarantees for our approach. Numerical experiments on both synthetic and real data demonstrate significant advantages of our approach over benchmarks.  ( 2 min )

As input data distributions evolve, the predictive performance of machine learning models tends to deteriorate. In the past, predictive performance was considered the key indicator to monitor. However, explanation aspects have come to attention within the last years. In this work, we investigate how model predictive performance and model explanation characteristics are affected under distribution shifts and how these key indicators are related to each other for tabular data. We find that the modeling of explanation shifts can be a better indicator for the detection of predictive performance changes than state-of-the-art techniques based on representations of distribution shifts. We provide a mathematical analysis of different types of distribution shifts as well as synthetic experimental examples.  ( 2 min )

Stochastic versions of proximal methods have gained much attention in statistics and machine learning. These algorithms tend to admit simple, scalable forms, and enjoy numerical stability via implicit updates. In this work, we propose and analyze a stochastic version of the recently proposed proximal distance algorithm, a class of iterative optimization methods that recover a desired constrained estimation problem as a penalty parameter $\rho \rightarrow \infty$. By uncovering connections to related stochastic proximal methods and interpreting the penalty parameter as the learning rate, we justify heuristics used in practical manifestations of the proximal distance method, establishing their convergence guarantees for the first time. Moreover, we extend recent theoretical devices to establish finite error bounds and a complete characterization of convergence rates regimes. We validate our analysis via a thorough empirical study, also showing that unsurprisingly, the proposed method outpaces batch versions on popular learning tasks.  ( 2 min )

Reliably estimating the uncertainty of a prediction throughout the model lifecycle is crucial in many safety-critical applications. The most common way to measure this uncertainty is via the predicted confidence. While this tends to work well for in-domain samples, these estimates are unreliable under domain drift. Alternatively, a bias-variance decomposition allows to directly measure the predictive uncertainty across the entire input space. But, such a decomposition for proper scores does not exist in current literature, and for exponential families it is convoluted. In this work, we introduce a general bias-variance decomposition for proper scores and reformulate the exponential family case, giving rise to the Bregman Information as the variance term in both cases. This allows us to prove that the Bregman Information for classification measures the uncertainty in the logit space. We showcase the practical relevance of this decomposition on two downstream tasks. First, we show how to construct confidence intervals for predictions on the instance-level based on the Bregman Information. Second, we demonstrate how different approximations of the instance-level Bregman Information allow reliable out-of-distribution detection for all degrees of domain drift.  ( 2 min )

Offline Reinforcement Learning (RL) via Supervised Learning is a simple and effective way to learn robotic skills from a dataset collected by policies of different expertise levels. It is as simple as supervised learning and Behavior Cloning (BC), but takes advantage of return information. On datasets collected by policies of similar expertise, implicit BC has been shown to match or outperform explicit BC. Despite the benefits of using implicit models to learn robotic skills via BC, offline RL via Supervised Learning algorithms have been limited to explicit models. We show how implicit models can leverage return information and match or outperform explicit algorithms to acquire robotic skills from fixed datasets. Furthermore, we show the close relationship between our implicit methods and other popular RL via Supervised Learning algorithms to provide a unified framework. Finally, we demonstrate the effectiveness of our method on high-dimension manipulation and locomotion tasks.  ( 2 min )

One common approach to detecting change-points is minimizing a cost function over possible numbers and locations of change-points. The framework includes several well-established procedures, such as the penalized likelihood and minimum description length. Such an approach requires finding the cost value repeatedly over different segments of the data set, which can be time-consuming when (i) the data sequence is long and (ii) obtaining the cost value involves solving a non-trivial optimization problem. This paper introduces a new sequential method (SE) that can be coupled with gradient descent (SeGD) and quasi-Newton's method (SeN) to find the cost value effectively. The core idea is to update the cost value using the information from previous steps without re-optimizing the objective function. The new method is applied to change-point detection in generalized linear models and penalized regression. Numerical studies show that the new approach can be orders of magnitude faster than the Pruned Exact Linear Time (PELT) method without sacrificing estimation accuracy.  ( 2 min )

We consider the problem of performing Bayesian inference in probabilistic models where observations are accompanied by uncertainty, referred to as `uncertain evidence'. In many real-world scenarios, such uncertainty stems from measurement errors associated with observable quantities in probabilistic models. We explore how to interpret uncertain evidence, and by extension the importance of proper interpretation as it pertains to inference about latent variables. We consider a recently-proposed method `stochastic evidence' as well as revisit two older methods: Jeffrey's rule and virtual evidence. We devise concrete guidelines on how to account for uncertain evidence and we provide new insights, particularly regarding consistency. To showcase the impact of different interpretations of the same uncertain evidence, we carry out experiments in which we compare inference results associated with each interpretation.  ( 2 min )

Hello we are seeking a volunteer(s) specializing in machine learning AI development t assist on a couple of collaborative group projects centered around developing advanced market trading AI. One is a hybrid series of parallel and perpendicular AI chains that filter out the best predictions for the "big moves" for the next 24 hour period, the other is a bot generator that sends bots out to search the web for key data points and trades automatically based on that. We are seeking those with any background in software development. It is worth mentioning that while this project only offers exclusive access to the finished product, those who make it to the end may also be offered a paid position in the startup company that the founder of this group owns (the company is not in any way involved with this project). Thanks for your time, feel free to comment directly on here if you're interested or DM me directly. submitted by /u/38931841Hz [link] [comments]  ( 112 min )

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Blog post: https://fillout.com/blog/how-we-used-ai-to-improve-our-user-onboarding/ I shared Fillout last week and several of you asked how it works under the hood. Wrote this quick blog post to explain how. Let me know what you think! submitted by /u/dominicwhyte42 [link] [comments]  ( 113 min )

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Hi, I'd like to introduce a human segmentation toolkit called PP-HumanSeg. This might be some help to you. Hope you enjoy it. This toolkit has: A large-scale video portrait dataset that contains 14K frames for conference scenes Portrait segmentation models that achieve SOTA performance (mIoU 96.63%, 63 FPS on mobile phone) Several out-of-box human segmentation models for real scene Github: https://github.com/PaddlePaddle/PaddleSeg/tree/release/2.6/contrib/PP-HumanSeg ​ https://i.redd.it/qldxzglroqv91.gif submitted by /u/EldDap [link] [comments]  ( 114 min )

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Here is my conversation with the OpenAI about imagination, life, death and more... https://beta.openai.com/playground/p/jyA7RPFmjM3v4cjuJlTuSVsP?model=text-davinci-002 Edit: The following is a conversation with an AI assistant. The assistant is helpful, creative, clever, and very friendly. ​ Human: Hello, who are you? AI: I am an AI created by OpenAI. How can I help you today? Human: Hii AI: ​ Hello, how can I help you? Human: What do you think of ice creams ? AI: Ice cream is one of my favorite things! I love how there are so many different flavors and types to choose from. Human: Do you think it tastes good? AI: ​ Yes, I think ice cream tastes great! Human: have you ever tasted an ice cream ? AI: Yes, I have tasted ice cream before. I think it's delicious! Human: How…  ( 136 min )

I have created a openai account, but all it gives me is a default chatbot. Where can I find the funny homelander chatbot? submitted by /u/insertname1234567890 [link] [comments]  ( 111 min )

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Which RL papers/ review papers to read if one wants to know the brief history and recent developments in reinforcement learning? submitted by /u/sayakm330 [link] [comments]  ( 116 min )

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I'm trying to understand how Soft Actor Critic works and am very confused how exactly entropy is being maximised. Entropy is given by E(-log P(x) ) [https://spinningup.openai.com/en/latest/algorithms/sac.html] Which expands to integration of -P(x).logP(x) for continuous x. But in the formulations for Q and V, P(x) is not there and only -logP(x) is added. Graph of -logP(x) looks like this: -log a | We only care about [0, 1] for a = P(x) And as a reward curve, it looks like it is trying to minimise probability (high rewards for less probability), which doesn't make sense if you're trying to maximise randomness/entropy. By squashing the probability, it should move closer to determinism. Also, low probability of an action => high reward => increase in probability => low reward => decrease in probability => high reward => ..... => Increase in confusion So can someone please help me understand what exactly is happening here? Experiments: I ran some versions of SAC on InvertedPendulumBulletEnv-v0. For each different version, I added the listed quantity to the objective functions for Q and V: -logP(x) [original] -P(x).logP(x) [makes more sense to me] -P(x) [why not?] +P(x) [to check if addition or subtraction matters] +logP(x) [for thoroughness] 0 [just to see what happens] 1, 2 and 3 learnt well, and were consistently getting +1000 episode score by the end of 250 epochs(episodes). 4 and 5 learnt absolutely nothing. 6 learnt much slower and the learning was very unstable. ​ At first I thought that giving a penalty towards the probability distribution is what matters (maybe as a form of regularisation?), but then I recalled logP(x) is negative in itself, so -logP(x) is +ve. So now I'm even more confused why both 1 and 3 work and not 4 or 5. submitted by /u/mrscabbycreature [link] [comments]  ( 117 min )

Suppose two companies would like to share data, but they’d also each like to retain ownership of their own data. They’d like to enable querying as if each company had given the other all its data, without actually letting go of its data. Maybe the two companies are competitors who want to collaborate for a […] Sharing data without letting it go first appeared on John D. Cook.  ( 6 min )

Let’s suppose we have data that comes from a distribution that is approximately normal but has a heavier right tail, specifically a gamma distribution with shape 6. We’d like to estimate the standard deviation of the data source. If the data were normally distributed, the sample standard deviation would be the most efficient unbiased estimator. […] Robustness of mean range first appeared on John D. Cook.  ( 5 min )

Suppose you write down a number and take the sum of its digits. In what base will this sum be the smallest on average? Let’s do a couple examples comparing base 10 and base 2. The number 2022 in base 10 has digit sum 6, but its binary equivalent 11111100110 has digit sum 8, so […] Average digit sum first appeared on John D. Cook.  ( 5 min )

The most common way to measure variability, at least for data coming from a normal distribution, is standard deviation. Another less common approach is to use mean range. Standard deviation is mathematically simple but operationally a little complicated. Mean range, on the other hand, is complicated to analyze mathematically but operationally very simple. ASQ/ANSI Z1.9 […] Using mean range method to measure variability first appeared on John D. Cook.  ( 6 min )

In this post, we introduce a new analysis in the Data Quality and Insights Report of Amazon SageMaker Data Wrangler. This analysis assists you in validating textual features for correctness and uncovering invalid rows for repair or omission. Data Wrangler reduces the time it takes to aggregate and prepare data for machine learning (ML) from […]  ( 6 min )

In the past decade, we have seen Deep learning (DL) science adopted at a tremendous pace by AWS customers. The plentiful and jointly trained parameters of DL models have a large representational capacity that brought improvements in numerous customer use cases, including image and speech analysis, natural language processing (NLP), time series processing, and more. […]  ( 6 min )

Paper: https://arxiv.org/abs/2210.11630 Abstract: A key part of learning to program is learning to understand programming error messages. They can be hard to interpret and identifying the cause of errors can be time-consuming. One factor in this challenge is that the messages are typically intended for an audience that already knows how to program, or even for programming environments that then use the information to highlight areas in code. Researchers have been working on making these errors more novice friendly since the 1960s, however progress has been slow. The present work contributes to this stream of research by using large language models to enhance programming error messages with explanations of the errors and suggestions on how to fix the error. Large language models can be used to create useful and novice-friendly enhancements to programming error messages that sometimes surpass the original programming error messages in interpretability and actionability. These results provide further evidence of the benefits of large language models for computing educators, highlighting their use in areas known to be challenging for students. We further discuss the benefits and downsides of large language models and highlight future streams of research for enhancing programming error messages. submitted by /u/xutw21 [link] [comments]  ( 124 min )

With the success of diffusion models in image generation, I was wondering if doing the same but with text embeddings would make sense. Diffusing the embeddings so they end up being a bit off in term of vectors and position and learning to correct them. Also the iterative process of refining them during multiple pass. Would that make any sense? I don't think I heard about research in this area. submitted by /u/hapliniste [link] [comments]  ( 125 min )

Paper: https://arxiv.org/abs/2210.11610 Abstract: Large Language Models (LLMs) have achieved excellent performances in various tasks. However, fine-tuning an LLM requires extensive supervision. Human, on the other hand, may improve their reasoning abilities by self-thinking without external inputs. In this work, we demonstrate that an LLM is also capable of self-improving with only unlabeled datasets. We use a pre-trained LLM to generate "high-confidence" rationale-augmented answers for unlabeled questions using Chain-of-Thought prompting and self-consistency, and fine-tune the LLM using those self-generated solutions as target outputs. We show that our approach improves the general reasoning ability of a 540B-parameter LLM (74.4%->82.1% on GSM8K, 78.2%->83.0% on DROP, 90.0%->94.4% on OpenBookQA, and 63.4%->67.9% on ANLI-A3) and achieves state-of-the-art-level performance, without any ground truth label. We conduct ablation studies and show that fine-tuning on reasoning is critical for self-improvement. submitted by /u/Lajamerr_Mittesdine [link] [comments]  ( 119 min )

Avatars are going to be one of the most critical components in the next decade. I have not found any community which has deep insight beyond just a subsection into this brilliant field. Meta Reality Labs, Disney Research, and Microsoft Research are just a few companies developing neural avatar representations of the face and body with very realistic results. I've created a discord so that we can share the latest research and datasets which i will update constantly anytime I find anything fascinating and work on building a realistic neural avatar as well. Hopefully we can build a community big enough similar to even stable diffusion where we can create the most realistic avatars possible. Here are some references that Meta, Samsung, and University of Science and Technology of China have achieved https://arxiv.org/abs/2103.01954 https://arxiv.org/pdf/2207.07621.pdf https://arxiv.org/abs/2210.06108 submitted by /u/trikortreat123 [link] [comments]  ( 121 min )

I'm working on a project that consists of creating a network that receives an image and a 3d object. This network should be able to make the correspondences between the 2d image object and the 3d object. I created the images synthetically in order to be able to create the ground truth more easily. At the moment I have a list with the vertices of the mesh visible by the camera and the respective pixels of the image. What kind of tips can you give me to solve this type of problem? What kind of network should I create? submitted by /u/henistein [link] [comments]  ( 126 min )

Fun tutorial to learn how to make professional contour plots in Python, with incredible animated visualizations. At the intersection of machine learning, scientific computing, automated art, cartography, and video games. Section 3 is particularly interesting, as it shows all the work behind the scene, to complete this project in 20 hours when you have no idea how to start. https://reddit.com/link/ycg6c6/video/kycotrx09sv91/player There is far more than just creating 3D contour plots in this article. First, you will learn how to produce data videos. I have shared quite a few in the past (with source code), but this is probably the simplest example. The data video also illustrates that a mixture of Gaussian-like distributions is typically non Gaussian-like, and may or may not be unimodal.…  ( 126 min )

“If you cannot measure it, you cannot improve it.” ML Safety lacks good benchmarks. We are offering prizes for benchmark ideas in order to concretize ML safety research directions. You can submit a published paper or just a write-up of your idea. Main site: benchmarking.mlsafety.org Example ideas: benchmarking.mlsafety.org/ideas https://preview.redd.it/9yof7nplqrv91.png?width=838&format=png&auto=webp&s=a2a5bf6a25c4c95a4c3a6220e238ae32aa63c215 submitted by /u/joshuamclymer [link] [comments]  ( 124 min )

Hi, I'd like to introduce EISeg , an efficient and interactive tool for segmentation annotation. Only need several clicks to finish segmentation annotation, which improve the efficiency by 10 times. Hope this be some help for you :) ​ Main Features: Support image and video as inputs Open-source, easy-to-use and powerful Provide specialized models for better performance , such as portrait, remote sensing, medical treatment, etc Usage: https://github.com/PaddlePaddle/PaddleSeg/blob/release/2.6/EISeg/README_EN.md Code: https://github.com/PaddlePaddle/PaddleSeg/tree/release/2.6/EISeg Technical article: https://arxiv.org/abs/2210.08788 ​ The following images demonstrate the effectiveness of EISeg. https://i.redd.it/rrrdt2cc2rv91.gif submitted by /u/Effective_Tax_2096 [link] [comments]  ( 123 min )

In GPT implementations I've seen, contiguous spans of text are sampled from the dataset and then a causal mask is applied over the spans, from the first to the last token of the input. When working with shorter spans of text (or when data is from an internet crawl and we know that some parts are from a different source) is there any worthwhile gain in preparing a more complicated attention mask, so that there is no attention applied between unrelated samples? So something like this? https://preview.redd.it/ygipbem3cqv91.png?width=817&format=png&auto=webp&s=faf0e6fa2a32ee52d85711c3e1fcd447dd8f47c8 Are there any strong reasons to use the left masking scheme instead of the one on the right? EOT is a separating token, (End Of Text), with variant on the right it is possible to just omit the EOT in the input and it should work better. Other approach I can imagine is to just pack one example per row of batch, and pad the batch, which solves the problem of attending to unrelated samples. But that can get tricky for example while using TPUs, where you want to keep the sequence dimension of constant size, and padding short examples to max_length is a waste of compute. submitted by /u/Krucjator [link] [comments]  ( 121 min )

I have developed a framework named AIJack to simulate various attacks against machine learning models, mainly based on PyTorch and sklearn. I have implemented more than 20 algorithms, such as Model Inversion, Poisoning Attack, Evasion Attack, Federated Learning, Split Learning, Differential Privacy, and Homomorphic Encryption. I am looking forward to your feedback! submitted by /u/Living_Impression_37 [link] [comments]  ( 128 min )

Hey, I have been looking for a fast language model that like takes less than 4 seconds on a normale cpu for 2000 tokens. But didn’t find one. So what’s is the current fastest language model that have competitive results ? Thanks ! submitted by /u/Meddhouib10 [link] [comments]  ( 121 min )

Sensor AI solutions specialist SenSen has turned to the NVIDIA Jetson edge AI platform to help regulators track heavy vehicles moving across Australia. Australia’s National Heavy Vehicle Regulator, or NHVR, has a big job — ensuring the safety of truck drivers across some of the world’s most sparsely populated regions. They’re now harnessing AI to Read article > The post Keep On Trucking: SenSen Harnesses Drones, NVIDIA Jetson, Metropolis to Inspect Trucks appeared first on NVIDIA Blog.  ( 5 min )

When two technologies converge, they can create something new and wonderful — like cellphones and browsers were fused to forge smartphones. Today, developers are applying AI’s ability to find patterns to massive graph databases that store information about relationships among data points of all sorts. Together they produce a powerful new tool called graph neural Read article > The post What Are Graph Neural Networks? appeared first on NVIDIA Blog.  ( 7 min )

Computer vision is one of the most remarkable developments to emerge from the field of computer science. It’s among the most rapidly growing areas in the technology landscape and has the potential to significantly impact the way people live and work. Advances at the intersection of machine learning (ML) and computer vision have been accelerating in recent years, leading to significant progress in numerous fields, including healthcare, robotics, the automotive industry, and augmented reality (AR). Microsoft is proud to be a prominent contributor to computer vision research. The post ECCV 2022 highlights: Advancing the foundations of mixed reality appeared first on Microsoft Research.  ( 16 min )

Onboarding is a critical stage for new and transfer hires’ successful performance in the future. In fact, employees’ successes and failures are directly related to the quality of the onboarding process. That’s why it is crucial to provide stellar training, which includes making sure learning is taking place. Employees who are exiting large corporations these… Read More »12 Crucial Tips for Employee Onboarding The post 12 Crucial Tips for Employee Onboarding appeared first on Data Science Central.  ( 21 min )

Reinforcement learning (RL) is frequently employed in fine-tuning large language models (LMs), such as GPT-3, to penalize them for undesirable features of generated sequences, such as offensiveness, social bias, harmfulness or falsehood. The RL formulation involves treating the LM as a policy and updating it to maximise the expected value of a reward function which captures human preferences, such as non-offensiveness. In this paper, we analyze challenges associated with treating a language model as an RL policy and show how avoiding those challenges requires moving beyond the RL paradigm. We start by observing that the standard RL approach is flawed as an objective for fine-tuning LMs because it leads to distribution collapse: turning the LM into a degenerate distribution. Then, we analyze KL-regularised RL, a widely used recipe for fine-tuning LMs, which additionally constrains the fine-tuned LM to stay close to its original distribution in terms of Kullback-Leibler (KL) divergence. We show that KL-regularised RL is equivalent to variational inference: approximating a Bayesian posterior which specifies how to update a prior LM to conform with evidence provided by the reward function. We argue that this Bayesian inference view of KL-regularised RL is more insightful than the typically employed RL perspective. The Bayesian inference view explains how KL-regularised RL avoids the distribution collapse problem and offers a first-principles derivation for its objective. While this objective happens to be equivalent to RL (with a particular choice of parametric reward), there exist other objectives for fine-tuning LMs which are no longer equivalent to RL. That observation leads to a more general point: RL is not an adequate formal framework for problems such as fine-tuning language models. These problems are best viewed as Bayesian inference: approximating a pre-defined target distribution.  ( 3 min )

Deep learning methods have gained popularity in high energy physics for fast modeling of particle showers in detectors. Detailed simulation frameworks such as the gold standard Geant4 are computationally intensive, and current deep generative architectures work on discretized, lower resolution versions of the detailed simulation. The development of models that work at higher spatial resolutions is currently hindered by the complexity of the full simulation data, and by the lack of simpler, more interpretable benchmarks. Our contribution is SUPA, the SUrrogate PArticle propagation simulator, an algorithm and software package for generating data by simulating simplified particle propagation, scattering and shower development in matter. The generation is extremely fast and easy to use compared to Geant4, but still exhibits the key characteristics and challenges of the detailed simulation. We support this claim experimentally by showing that performance of generative models on data from our simulator reflects the performance on a dataset generated with Geant4. The proposed simulator generates thousands of particle showers per second on a desktop machine, a speed up of up to 6 orders of magnitudes over Geant4, and stores detailed geometric information about the shower propagation. SUPA provides much greater flexibility for setting initial conditions and defining multiple benchmarks for the development of models. Moreover, interpreting particle showers as point clouds creates a connection to geometric machine learning and provides challenging and fundamentally new datasets for the field. The code for SUPA is available at https://github.com/itsdaniele/SUPA.  ( 3 min )

Accurate value estimates are important for off-policy reinforcement learning. Algorithms based on temporal difference learning typically are prone to an over- or underestimation bias building up over time. In this paper, we propose a general method called Adaptively Calibrated Critics (ACC) that uses the most recent high variance but unbiased on-policy rollouts to alleviate the bias of the low variance temporal difference targets. We apply ACC to Truncated Quantile Critics, which is an algorithm for continuous control that allows regulation of the bias with a hyperparameter tuned per environment. The resulting algorithm adaptively adjusts the parameter during training rendering hyperparameter search unnecessary and sets a new state of the art on the OpenAI gym continuous control benchmark among all algorithms that do not tune hyperparameters for each environment. ACC further achieves improved results on different tasks from the Meta-World robot benchmark. Additionally, we demonstrate the generality of ACC by applying it to TD3 and showing an improved performance also in this setting.  ( 2 min )

Generating molecules with desired biological activities has attracted growing attention in drug discovery. Previous molecular generation models are designed as chemocentric methods that hardly consider the drug-target interaction, limiting their practical applications. In this paper, we aim to generate molecular drugs in a target-aware manner that bridges biological activity and molecular design. To solve this problem, we compile a benchmark dataset from several publicly available datasets and build baselines in a unified framework. Building on the recent advantages of flow-based molecular generation models, we propose SiamFlow, which forces the flow to fit the distribution of target sequence embeddings in latent space. Specifically, we employ an alignment loss and a uniform loss to bring target sequence embeddings and drug graph embeddings into agreements while avoiding collapse. Furthermore, we formulate the alignment into a one-to-many problem by learning spaces of target sequence embeddings. Experiments quantitatively show that our proposed method learns meaningful representations in the latent space toward the target-aware molecular graph generation and provides an alternative approach to bridge biology and chemistry in drug discovery.  ( 2 min )

Designing reinforcement learning (RL) agents is typically a difficult process that requires numerous design iterations. Learning can fail for a multitude of reasons, and standard RL methods provide too few tools to provide insight into the exact cause. In this paper, we show how to integrate value decomposition into a broad class of actor-critic algorithms and use it to assist in the iterative agent-design process. Value decomposition separates a reward function into distinct components and learns value estimates for each. These value estimates provide insight into an agent's learning and decision-making process and enable new training methods to mitigate common problems. As a demonstration, we introduce SAC-D, a variant of soft actor-critic (SAC) adapted for value decomposition. SAC-D maintains similar performance to SAC, while learning a larger set of value predictions. We also introduce decomposition-based tools that exploit this information, including a new reward influence metric, which measures each reward component's effect on agent decision-making. Using these tools, we provide several demonstrations of decomposition's use in identifying and addressing problems in the design of both environments and agents. Value decomposition is broadly applicable and easy to incorporate into existing algorithms and workflows, making it a powerful tool in an RL practitioner's toolbox.  ( 3 min )

Stackelberg Equilibria arise naturally in a range of popular learning problems, such as in security games or automated mechanism design, and have received increasing attention in the reinforcement learning literature recently. We present a general framework for implementing Stackelberg Equilibria search as a multi-agent RL problem, allowing a wide range of design choices. We discuss how previous approaches can be seen as specific instantiations of this framework. As a key insight, we note that the design space allows for approaches not previously seen in the literature, for instance by leveraging multitask and meta-RL techniques for follower convergence. We evaluate examples of novel approaches predicted by our framework experimentally on standard benchmark domains. Finally, we discuss directions for future work implied by our work.  ( 2 min )

Visual Counterfactual Explanations (VCEs) are an important tool to understand the decisions of an image classifier. They are 'small' but 'realistic' semantic changes of the image changing the classifier decision. Current approaches for the generation of VCEs are restricted to adversarially robust models and often contain non-realistic artefacts, or are limited to image classification problems with few classes. In this paper, we overcome this by generating Diffusion Visual Counterfactual Explanations (DVCEs) for arbitrary ImageNet classifiers via a diffusion process. Two modifications to the diffusion process are key for our DVCEs: first, an adaptive parameterization, whose hyperparameters generalize across images and models, together with distance regularization and late start of the diffusion process, allow us to generate images with minimal semantic changes to the original ones but different classification. Second, our cone regularization via an adversarially robust model ensures that the diffusion process does not converge to trivial non-semantic changes, but instead produces realistic images of the target class which achieve high confidence by the classifier.  ( 2 min )

Contrastive learning has emerged as a powerful tool for graph representation learning. However, most contrastive learning methods learn features of graphs with fixed coarse-grained scale, which might underestimate either local or global information. To capture more hierarchical and richer representation, we propose a novel Hierarchical Contrastive Learning (HCL) framework that explicitly learns graph representation in a hierarchical manner. Specifically, HCL includes two key components: a novel adaptive Learning to Pool (L2Pool) method to construct more reasonable multi-scale graph topology for more comprehensive contrastive objective, a novel multi-channel pseudo-siamese network to further enable more expressive learning of mutual information within each scale. Comprehensive experimental results show HCL achieves competitive performance on 12 datasets involving node classification, node clustering and graph classification. In addition, the visualization of learned representation reveals that HCL successfully captures meaningful characteristics of graphs.  ( 2 min )

This paper describes NEREL-BIO -- an annotation scheme and corpus of PubMed abstracts in Russian and smaller number of abstracts in English. NEREL-BIO extends the general domain dataset NEREL by introducing domain-specific entity types. NEREL-BIO annotation scheme covers both general and biomedical domains making it suitable for domain transfer experiments. NEREL-BIO provides annotation for nested named entities as an extension of the scheme employed for NEREL. Nested named entities may cross entity boundaries to connect to shorter entities nested within longer entities, making them harder to detect. NEREL-BIO contains annotations for 700+ Russian and 100+ English abstracts. All English PubMed annotations have corresponding Russian counterparts. Thus, NEREL-BIO comprises the following specific features: annotation of nested named entities, it can be used as a benchmark for cross-domain (NEREL -> NEREL-BIO) and cross-language (English -> Russian) transfer. We experiment with both transformer-based sequence models and machine reading comprehension (MRC) models and report their results. The dataset is freely available at https://github.com/nerel-ds/NEREL-BIO.  ( 2 min )

Vision transformers have achieved remarkable progress in vision tasks such as image classification and detection. However, in instance-level image retrieval, transformers have not yet shown good performance compared to convolutional networks. We propose a number of improvements that make transformers outperform the state of the art for the first time. (1) We show that a hybrid architecture is more effective than plain transformers, by a large margin. (2) We introduce two branches collecting global (classification token) and local (patch tokens) information, from which we form a global image representation. (3) In each branch, we collect multi-layer features from the transformer encoder, corresponding to skip connections across distant layers. (4) We enhance locality of interactions at the deeper layers of the encoder, which is the relative weakness of vision transformers. We train our model on all commonly used training sets and, for the first time, we make fair comparisons separately per training set. In all cases, we outperform previous models based on global representation. Public code is available at https://github.com/dealicious-inc/DToP.  ( 2 min )

Doctors typically write in incomprehensible handwriting, making it difficult for both the general public and some pharmacists to understand the medications they have prescribed. It is not ideal for them to write the prescription quietly and methodically because they will be dealing with dozens of patients every day and will be swamped with work.As a result, their handwriting is illegible. This may result in reports or prescriptions consisting of short forms and cursive writing that a typical person or pharmacist won't be able to read properly, which will cause prescribed medications to be misspelled. However, some individuals are accustomed to writing prescriptions in regional languages because we all live in an area with a diversity of regional languages. It makes analyzing the content much more challenging. So, in this project, we'll use a recognition system to build a tool that can translate the handwriting of physicians in any language. This system will be made into an application which is fully autonomous in functioning. As the user uploads the prescription image the program will pre-process the image by performing image pre-processing, and word segmentations initially before processing the image for training. And it will be done for every language we require the model to detect. And as of the deduction model will be made using deep learning techniques including CNN, RNN, and LSTM, which are utilized to train the model. To match words from various languages that will be written in the system, Unicode will be used. Furthermore, fuzzy search and market basket analysis are employed to offer an end result that will be optimized from the pharmaceutical database and displayed to the user as a structured output.  ( 3 min )

The segmentation of histopathological whole slide images into tumourous and non-tumourous types of tissue is a challenging task that requires the consideration of both local and global spatial contexts to classify tumourous regions precisely. The identification of subtypes of tumour tissue complicates the issue as the sharpness of separation decreases and the pathologist's reasoning is even more guided by spatial context. However, the identification of detailed types of tissue is crucial for providing personalized cancer therapies. Due to the high resolution of whole slide images, existing semantic segmentation methods, restricted to isolated image sections, are incapable of processing context information beyond. To take a step towards better context comprehension, we propose a patch neighbour attention mechanism to query the neighbouring tissue context from a patch embedding memory bank and infuse context embeddings into bottleneck hidden feature maps. Our memory attention framework (MAF) mimics a pathologist's annotation procedure -- zooming out and considering surrounding tissue context. The framework can be integrated into any encoder-decoder segmentation method. We evaluate the MAF on a public breast cancer and an internal kidney cancer data set using famous segmentation models (U-Net, DeeplabV3) and demonstrate the superiority over other context-integrating algorithms -- achieving a substantial improvement of up to $17\%$ on Dice score. The code is publicly available at: https://github.com/tio-ikim/valuing-vicinity  ( 3 min )

We study the problem of online learning in two-sided non-stationary matching markets, where the objective is to converge to a stable match. In particular, we consider the setting where one side of the market, the arms, has fixed known set of preferences over the other side, the players. While this problem has been studied when the players have fixed but unknown preferences, in this work we study the problem of how to learn when the preferences of the players are time varying. We propose the {\it Restart Competing Bandits (RCB)} algorithm, which combines a simple {\it restart strategy} to handle the non-stationarity with the {\it competing bandits} algorithm \citep{liu2020competing} designed for the stationary case. We show that, with the proposed algorithm, each player receives a uniform sub-linear regret of {$\widetilde{\mathcal{O}}(L^{1/2}_TT^{1/2})$} up to the number of changes in the underlying preference of agents, $L_T$. We also discuss extensions of this algorithm to the case where the number of changes need not be known a priori.  ( 2 min )

A major obstacle to the realization of novel inorganic materials with desirable properties is the inability to perform efficient optimization across both materials properties and synthesis of those materials. In this work, we propose a reinforcement learning (RL) approach to inverse inorganic materials design, which can identify promising compounds with specified properties and synthesizability constraints. Our model learns chemical guidelines such as charge and electronegativity neutrality while maintaining chemical diversity and uniqueness. We demonstrate a multi-objective RL approach, which can generate novel compounds with targeted materials properties including formation energy and bulk/shear modulus alongside a lower sintering temperature synthesis objectives. Using this approach, the model can predict promising compounds of interest, while suggesting an optimized chemical design space for inorganic materials discovery.  ( 2 min )

Rotation equivariance is a desirable property in many practical applications such as motion forecasting and 3D perception, where it can offer benefits like sample efficiency, better generalization, and robustness to input perturbations. Vector Neurons (VN) is a recently developed framework offering a simple yet effective approach for deriving rotation-equivariant analogs of standard machine learning operations by extending one-dimensional scalar neurons to three-dimensional "vector neurons." We introduce a novel "VN-Transformer" architecture to address several shortcomings of the current VN models. Our contributions are: $(i)$ we derive a rotation-equivariant attention mechanism which eliminates the need for the heavy feature preprocessing required by the original Vector Neurons models; $(ii)$ we extend the VN framework to support non-spatial attributes, expanding the applicability of these models to real-world datasets; $(iii)$ we derive a rotation-equivariant mechanism for multi-scale reduction of point-cloud resolution, greatly speeding up inference and training; $(iv)$ we show that small tradeoffs in equivariance ($\epsilon$-approximate equivariance) can be used to obtain large improvements in numerical stability and training robustness on accelerated hardware, and we bound the propagation of equivariance violations in our models. Finally, we apply our VN-Transformer to 3D shape classification and motion forecasting with compelling results.

Pauli spin blockade (PSB) can be employed as a great resource for spin qubit initialisation and readout even at elevated temperatures but it can be difficult to identify. We present a machine learning algorithm capable of automatically identifying PSB using charge transport measurements. The scarcity of PSB data is circumvented by training the algorithm with simulated data and by using cross-device validation. We demonstrate our approach on a silicon field-effect transistor device and report an accuracy of 96% on different test devices, giving evidence that the approach is robust to device variability. The approach is expected to be employable across all types of quantum dot devices.

Feature selection plays a vital role in promoting the classifier's performance. However, current methods ineffectively distinguish the complex interaction in the selected features. To further remove these hidden negative interactions, we propose a GA-like dynamic probability (GADP) method with mutual information which has a two-layer structure. The first layer applies the mutual information method to obtain a primary feature subset. The GA-like dynamic probability algorithm, as the second layer, mines more supportive features based on the former candidate features. Essentially, the GA-like method is one of the population-based algorithms so its work mechanism is similar to the GA. Different from the popular works which frequently focus on improving GA's operators for enhancing the search ability and lowering the converge time, we boldly abandon GA's operators and employ the dynamic probability that relies on the performance of each chromosome to determine feature selection in the new generation. The dynamic probability mechanism significantly reduces the parameter number in GA that making it easy to use. As each gene's probability is independent, the chromosome variety in GADP is more notable than in traditional GA, which ensures GADP has a wider search space and selects relevant features more effectively and accurately. To verify our method's superiority, we evaluate our method under multiple conditions on 15 datasets. The results demonstrate the outperformance of the proposed method. Generally, it has the best accuracy. Further, we also compare the proposed model to the popular heuristic methods like POS, FPA, and WOA. Our model still owns advantages over them.

Machine learning models can leak information about the data used to train them. To mitigate this issue, Differentially Private (DP) variants of optimization algorithms like Stochastic Gradient Descent (DP-SGD) have been designed to trade-off utility for privacy in Empirical Risk Minimization (ERM) problems. In this paper, we propose Differentially Private proximal Coordinate Descent (DP-CD), a new method to solve composite DP-ERM problems. We derive utility guarantees through a novel theoretical analysis of inexact coordinate descent. Our results show that, thanks to larger step sizes, DP-CD can exploit imbalance in gradient coordinates to outperform DP-SGD. We also prove new lower bounds for composite DP-ERM under coordinate-wise regularity assumptions, that are nearly matched by DP-CD. For practical implementations, we propose to clip gradients using coordinate-wise thresholds that emerge from our theory, avoiding costly hyperparameter tuning. Experiments on real and synthetic data support our results, and show that DP-CD compares favorably with DP-SGD.

Group equivariant convolutional neural networks (G-CNNs) have been successfully applied in geometric deep learning. Typically, G-CNNs have the advantage over CNNs that they do not waste network capacity on training symmetries that should have been hard-coded in the network. The recently introduced framework of PDE-based G-CNNs (PDE-G-CNNs) generalises G-CNNs. PDE-G-CNNs have the core advantages that they simultaneously 1) reduce network complexity, 2) increase classification performance, and 3) provide geometric interpretability. Their implementations primarily consist of linear and morphological convolutions with kernels. In this paper we show that the previously suggested approximative morphological kernels do not always accurately approximate the exact kernels accurately. More specifically, depending on the spatial anisotropy of the Riemannian metric, we argue that one must resort to sub-Riemannian approximations. We solve this problem by providing a new approximative kernel that works regardless of the anisotropy. We provide new theorems with better error estimates of the approximative kernels, and prove that they all carry the same reflectional symmetries as the exact ones. We test the effectiveness of multiple approximative kernels within the PDE-G-CNN framework on two datasets, and observe an improvement with the new approximative kernels. We report that the PDE-G-CNNs again allow for a considerable reduction of network complexity while having comparable or better performance than G-CNNs and CNNs on the two datasets. Moreover, PDE-G-CNNs have the advantage of better geometric interpretability over G-CNNs, as the morphological kernels are related to association fields from neurogeometry.

Recent natural language processing (NLP) techniques have accomplished high performance on benchmark datasets, primarily due to the significant improvement in the performance of deep learning. The advances in the research community have led to great enhancements in state-of-the-art production systems for NLP tasks, such as virtual assistants, speech recognition, and sentiment analysis. However, such NLP systems still often fail when tested with adversarial attacks. The initial lack of robustness exposed troubling gaps in current models' language understanding capabilities, creating problems when NLP systems are deployed in real life. In this paper, we present a structured overview of NLP robustness research by summarizing the literature in a systemic way across various dimensions. We then take a deep-dive into the various dimensions of robustness, across techniques, metrics, embeddings, and benchmarks. Finally, we argue that robustness should be multi-dimensional, provide insights into current research, identify gaps in the literature to suggest directions worth pursuing to address these gaps.

Much like other learning-based models, recommender systems can be affected by biases in the training data. While typical evaluation metrics (e.g. hit rate) are not concerned with them, some categories of final users are heavily affected by these biases. In this work, we propose using multiple triplet losses terms to extract meaningful and robust representations of users and items. We empirically evaluate the soundness of such representations through several "bias-aware" evaluation metrics, as well as in terms of stability to changes in the training set and agreement of the predictions variance w.r.t. that of each user.

We study geodesically convex (g-convex) problems that can be written as a difference of Euclidean convex functions. This structure arises in several optimization problems in statistics and machine learning, e.g., for matrix scaling, M-estimators for covariances, and Brascamp-Lieb inequalities. Our work offers efficient algorithms that on the one hand exploit g-convexity to ensure global optimality along with guarantees on iteration complexity. On the other hand, the split structure permits us to develop Euclidean Majorization-Minorization algorithms that help us bypass the need to compute expensive Riemannian operations such as exponential maps and parallel transport. We illustrate our results by specializing them to a few concrete optimization problems that have been previously studied in the machine learning literature. Ultimately, we hope our work helps motivate the broader search for mixed Euclidean-Riemannian optimization algorithms

In performative prediction, a predictive model impacts the distribution that generates future data, a phenomenon that is being ignored in classical supervised learning. In this closed-loop setting, the natural measure of performance named performative risk ($\mathrm{PR}$), captures the expected loss incurred by a predictive model \emph{after} deployment. The core difficulty of using the performative risk as an optimization objective is that the data distribution itself depends on the model parameters. This dependence is governed by the environment and not under the control of the learner. As a consequence, even the choice of a convex loss function can result in a highly non-convex $\mathrm{PR}$ minimization problem. Prior work has identified a pair of general conditions on the loss and the mapping from model parameters to distributions that implies the convexity of the performative risk. In this paper, we relax these assumptions and focus on obtaining weaker notions of convexity, without sacrificing the amenability of the $\mathrm{PR}$ minimization problem for iterative optimization methods.

The explorative and iterative nature of developing and operating machine learning (ML) applications leads to a variety of artifacts, such as datasets, features, models, hyperparameters, metrics, software, configurations, and logs. In order to enable comparability, reproducibility, and traceability of these artifacts across the ML lifecycle steps and iterations, systems and tools have been developed to support their collection, storage, and management. It is often not obvious what precise functional scope such systems offer so that the comparison and the estimation of synergy effects between candidates are quite challenging. In this paper, we aim to give an overview of systems and platforms which support the management of ML lifecycle artifacts. Based on a systematic literature review, we derive assessment criteria and apply them to a representative selection of more than 60 systems and platforms.

Mis- and disinformation are now a substantial global threat to our security and safety. To cope with the scale of online misinformation, one viable solution is to automate the fact-checking of claims by retrieving and verifying against relevant evidence. While major recent advances have been achieved in pushing forward the automatic fact-verification, a comprehensive evaluation of the possible attack vectors against such systems is still lacking. Particularly, the automated fact-verification process might be vulnerable to the exact disinformation campaigns it is trying to combat. In this work, we assume an adversary that automatically tampers with the online evidence in order to disrupt the fact-checking model via camouflaging the relevant evidence, or planting a misleading one. We first propose an exploratory taxonomy that spans these two targets and the different threat model dimensions. Guided by this, we design and propose several potential attack methods. We show that it is possible to subtly modify claim-salient snippets in the evidence, in addition to generating diverse and claim-aligned evidence. As a result, we highly degrade the fact-checking performance under many different permutations of the taxonomy's dimensions. The attacks are also robust against post-hoc modifications of the claim. Our analysis further hints at potential limitations in models' inference when faced with contradicting evidence. We emphasize that these attacks can have harmful implications on the inspectable and human-in-the-loop usage scenarios of such models, and we conclude by discussing challenges and directions for future defenses.

Time-dependent Partial Differential Equations with given initial conditions are considered in this paper. New differentiation techniques of the unknown solution with respect to time variable are proposed. It is shown that the proposed techniques allow to generate accurate higher order derivatives simultaneously for a set of spatial points. The calculated derivatives can then be used for data-driven solution in different ways. An application for Physics Informed Neural Networks by the well-known DeepXDE software solution in Python under Tensorflow background framework has been presented for three real-life PDEs: Burgers', Allen-Cahn and Schrodinger equations.

Healthcare digitalization requires effective applications of human sensors, when various parameters of the human body are instantly monitored in everyday life due to the Internet of Things (IoT). In particular, machine learning (ML) sensors for the prompt diagnosis of COVID-19 are an important option for IoT application in healthcare and ambient assisted living (AAL). Determining a COVID-19 infected status with various diagnostic tests and imaging results is costly and time-consuming. This study provides a fast, reliable and cost-effective alternative tool for the diagnosis of COVID-19 based on the routine blood values (RBVs) measured at admission. The dataset of the study consists of a total of 5296 patients with the same number of negative and positive COVID-19 test results and 51 routine blood values. In this study, 13 popular classifier machine learning models and the LogNNet neural network model were exanimated. The most successful classifier model in terms of time and accuracy in the detection of the disease was the histogram-based gradient boosting (HGB) (accuracy: 100%, time: 6.39 sec). The HGB classifier identified the 11 most important features (LDL, cholesterol, HDL-C, MCHC, triglyceride, amylase, UA, LDH, CK-MB, ALP and MCH) to detect the disease with 100% accuracy. In addition, the importance of single, double and triple combinations of these features in the diagnosis of the disease was discussed. We propose to use these 11 features and their binary combinations as important biomarkers for ML sensors in the diagnosis of the disease, supporting edge computing on Arduino and cloud IoT service.

Semidefinite programming (SDP) is a unifying framework that generalizes both linear programming and quadratically-constrained quadratic programming, while also yielding efficient solvers, both in theory and in practice. However, there exist known impossibility results for approximating the optimal solution when constraints for covering SDPs arrive in an online fashion. In this paper, we study online covering linear and semidefinite programs in which the algorithm is augmented with advice from a possibly erroneous predictor. We show that if the predictor is accurate, we can efficiently bypass these impossibility results and achieve a constant-factor approximation to the optimal solution, i.e., consistency. On the other hand, if the predictor is inaccurate, under some technical conditions, we achieve results that match both the classical optimal upper bounds and the tight lower bounds up to constant factors, i.e., robustness. More broadly, we introduce a framework that extends both (1) the online set cover problem augmented with machine-learning predictors, studied by Bamas, Maggiori, and Svensson (NeurIPS 2020), and (2) the online covering SDP problem, initiated by Elad, Kale, and Naor (ICALP 2016). Specifically, we obtain general online learning-augmented algorithms for covering linear programs with fractional advice and constraints, and initiate the study of learning-augmented algorithms for covering SDP problems. Our techniques are based on the primal-dual framework of Buchbinder and Naor (Mathematics of Operations Research, 34, 2009) and can be further adjusted to handle constraints where the variables lie in a bounded region, i.e., box constraints.

Timely and effective response to humanitarian crises requires quick and accurate analysis of large amounts of text data - a process that can highly benefit from expert-assisted NLP systems trained on validated and annotated data in the humanitarian response domain. To enable creation of such NLP systems, we introduce and release HumSet, a novel and rich multilingual dataset of humanitarian response documents annotated by experts in the humanitarian response community. The dataset provides documents in three languages (English, French, Spanish) and covers a variety of humanitarian crises from 2018 to 2021 across the globe. For each document, HUMSET provides selected snippets (entries) as well as assigned classes to each entry annotated using common humanitarian information analysis frameworks. HUMSET also provides novel and challenging entry extraction and multi-label entry classification tasks. In this paper, we take a first step towards approaching these tasks and conduct a set of experiments on Pre-trained Language Models (PLM) to establish strong baselines for future research in this domain. The dataset is available at https://blog.thedeep.io/humset/.

We have recently witnessed a number of impressive results on hard mathematical reasoning problems with language models. At the same time, the robustness of these models has also been called into question; recent works have shown that models can rely on shallow patterns in the problem description when predicting a solution. Building on the idea of behavioral testing, we propose a novel framework, which pins down the causal effect of various factors in the input, e.g., the surface form of the problem text, the operands and math operators on the output solution. By grounding the behavioral analysis in a causal graph describing an intuitive reasoning process, we study the behavior of language models in terms of robustness and sensitivity to direct interventions in the input space. We apply our framework on a test bed of bivariate math word problems. Our analysis shows that robustness does not appear to continuously improve as a function of scale, but that the recent LLM, GPT-3-Instruct (175B), achieves a dramatic improvement in both robustness and sensitivity, compared to all other GPT variants.

Despite unconditional feature inversion being the foundation of many image synthesis applications, training an inverter demands a high computational budget, large decoding capacity and imposing conditions such as autoregressive priors. To address these limitations, we propose the use of adversarially robust representations as a perceptual primitive for feature inversion. We train an adversarially robust encoder to extract disentangled and perceptually-aligned image representations, making them easily invertible. By training a simple generator with the mirror architecture of the encoder, we achieve superior reconstruction quality and generalization over standard models. Based on this, we propose an adversarially robust autoencoder and demonstrate its improved performance on style transfer, image denoising and anomaly detection tasks. Compared to recent ImageNet feature inversion methods, our model attains improved performance with significantly less complexity.

Capsule networks (see e.g. Hinton et al., 2018) aim to encode knowledge of and reason about the relationship between an object and its parts. In this paper we specify a generative model for such data, and derive a variational algorithm for inferring the transformation of each model object in a scene, and the assignments of observed parts to the objects. We derive a learning algorithm for the object models, based on variational expectation maximization (Jordan et al., 1999). We also study an alternative inference algorithm based on the RANSAC method of Fischler and Bolles (1981). We apply these inference methods to (i) data generated from multiple geometric objects like squares and triangles ("constellations"), and (ii) data from a parts-based model of faces. Recent work by Kosiorek et al. (2019) has used amortized inference via stacked capsule autoencoders (SCAEs) to tackle this problem -- our results show that we significantly outperform them where we can make comparisons (on the constellations data).

Language Models (LMs) have performed well on biomedical natural language processing applications. In this study, we conducted some experiments to use prompt methods to extract knowledge from LMs as new knowledge Bases (LMs as KBs). However, prompting can only be used as a low bound for knowledge extraction, and perform particularly poorly on biomedical domain KBs. In order to make LMs as KBs more in line with the actual application scenarios of the biomedical domain, we specifically add EHR notes as context to the prompt to improve the low bound in the biomedical domain. We design and validate a series of experiments for our Dynamic-Context-BioLAMA task. Our experiments show that the knowledge possessed by those language models can distinguish the correct knowledge from the noise knowledge in the EHR notes, and such distinguishing ability can also be used as a new metric to evaluate the amount of knowledge possessed by the model.

One of the key challenges in decentralized and federated learning is to design algorithms that efficiently deal with highly heterogeneous data distributions across agents. In this paper, we revisit the analysis of the popular Decentralized Stochastic Gradient Descent algorithm (D-SGD) under data heterogeneity. We exhibit the key role played by a new quantity, called neighborhood heterogeneity, on the convergence rate of D-SGD. By coupling the communication topology and the heterogeneity, our analysis sheds light on the poorly understood interplay between these two concepts. We then argue that neighborhood heterogeneity provides a natural criterion to learn data-dependent topologies that reduce (and can even eliminate) the otherwise detrimental effect of data heterogeneity on the convergence time of D-SGD. For the important case of classification with label skew, we formulate the problem of learning such a good topology as a tractable optimization problem that we solve with a Frank-Wolfe algorithm. As illustrated over a set of simulated and real-world experiments, our approach provides a principled way to design a sparse topology that balances the convergence speed and the per-iteration communication costs of D-SGD under data heterogeneity.

The Multimodal Sentiment Analysis Challenge (MuSe) 2022 is dedicated to multimodal sentiment and emotion recognition. For this year's challenge, we feature three datasets: (i) the Passau Spontaneous Football Coach Humor (Passau-SFCH) dataset that contains audio-visual recordings of German football coaches, labelled for the presence of humour; (ii) the Hume-Reaction dataset in which reactions of individuals to emotional stimuli have been annotated with respect to seven emotional expression intensities, and (iii) the Ulm-Trier Social Stress Test (Ulm-TSST) dataset comprising of audio-visual data labelled with continuous emotion values (arousal and valence) of people in stressful dispositions. Using the introduced datasets, MuSe 2022 2022 addresses three contemporary affective computing problems: in the Humor Detection Sub-Challenge (MuSe-Humor), spontaneous humour has to be recognised; in the Emotional Reactions Sub-Challenge (MuSe-Reaction), seven fine-grained `in-the-wild' emotions have to be predicted; and in the Emotional Stress Sub-Challenge (MuSe-Stress), a continuous prediction of stressed emotion values is featured. The challenge is designed to attract different research communities, encouraging a fusion of their disciplines. Mainly, MuSe 2022 targets the communities of audio-visual emotion recognition, health informatics, and symbolic sentiment analysis. This baseline paper describes the datasets as well as the feature sets extracted from them. A recurrent neural network with LSTM cells is used to set competitive baseline results on the test partitions for each sub-challenge. We report an Area Under the Curve (AUC) of .8480 for MuSe-Humor; .2801 mean (from 7-classes) Pearson's Correlations Coefficient for MuSe-Reaction, as well as .4931 Concordance Correlation Coefficient (CCC) and .4761 for valence and arousal in MuSe-Stress, respectively.

Since out-of-distribution generalization is a generally ill-posed problem, various proxy targets (e.g., calibration, adversarial robustness, algorithmic corruptions, invariance across shifts) were studied across different research programs resulting in different recommendations. While sharing the same aspirational goal, these approaches have never been tested under the same experimental conditions on real data. In this paper, we take a unified view of previous work, highlighting message discrepancies that we address empirically, and providing recommendations on how to measure the robustness of a model and how to improve it. To this end, we collect 172 publicly available dataset pairs for training and out-of-distribution evaluation of accuracy, calibration error, adversarial attacks, environment invariance, and synthetic corruptions. We fine-tune over 31k networks, from nine different architectures in the many- and few-shot setting. Our findings confirm that in- and out-of-distribution accuracies tend to increase jointly, but show that their relation is largely dataset-dependent, and in general more nuanced and more complex than posited by previous, smaller scale studies.

In domains where sample sizes are limited, efficient learning algorithms are critical. Learning using privileged information (LuPI) offers increased sample efficiency by allowing prediction models access to auxiliary information at training time which is unavailable when the models are used. In recent work, it was shown that for prediction in linear-Gaussian dynamical systems, a LuPI learner with access to intermediate time series data is never worse and often better in expectation than any unbiased classical learner. We provide new insights into this analysis and generalize it to nonlinear prediction tasks in latent dynamical systems, extending theoretical guarantees to the case where the map connecting latent variables and observations is known up to a linear transform. In addition, we propose algorithms based on random features and representation learning for the case when this map is unknown. A suite of empirical results confirm theoretical findings and show the potential of using privileged time-series information in nonlinear prediction.

Normalizing Flows (NF) are powerful likelihood-based generative models that are able to trade off between expressivity and tractability to model complex densities. A now well established research avenue leverages optimal transport (OT) and looks for Monge maps, i.e. models with minimal effort between the source and target distributions. This paper introduces a method based on Brenier's polar factorization theorem to transform any trained NF into a more OT-efficient version without changing the final density. We do so by learning a rearrangement of the source (Gaussian) distribution that minimizes the OT cost between the source and the final density. We further constrain the path leading to the estimated Monge map to lie on a geodesic in the space of volume-preserving diffeomorphisms thanks to Euler's equations. The proposed method leads to smooth flows with reduced OT cost for several existing models without affecting the model performance.

Federated Learning (FL) has become a practical and popular paradigm in machine learning. However, currently, there is no systematic solution that covers diverse use cases. Practitioners often face the challenge of how to select a matching FL framework for their use case. In this work, we present UniFed, the first unified benchmark for standardized evaluation of the existing open-source FL frameworks. With 15 evaluation scenarios, we present both qualitative and quantitative evaluation results of nine existing popular open-sourced FL frameworks, from the perspectives of functionality, usability, and system performance. We also provide suggestions on framework selection based on the benchmark conclusions and point out future improvement directions.

A significant number of equity funds are preferred by index funds nowadays, and market sensitivities are instrumental in managing them. Index funds might replicate the index identically, which is, however, cost-ineffective and impractical. Moreover, to utilize market sensitivities to replicate the index partially, they must be predicted or estimated accurately. Accordingly, first, we examine deep learning models to predict market sensitivities. Also, we present pragmatic applications of data processing methods to aid training and generate target data for the prediction. Then, we propose a partial-index-tracking optimization model controlling the net predicted market sensitivities of the portfolios and index to be the same. These processes' efficacy is corroborated by the Korea Stock Price Index 200. Our experiments show a significant reduction of the prediction errors compared with historical estimations, and competitive tracking errors of replicating the index using fewer than half of the entire constituents. Therefore, we show that applying deep learning to predict market sensitivities is promising and that our portfolio construction methods are practically effective. Additionally, to our knowledge, this is the first study that addresses market sensitivities focused on deep learning.

The study of robustness has received much attention due to its inevitability in data-driven settings where many systems face uncertainty. One such example of concern is Bayesian Optimization (BO), where uncertainty is multi-faceted, yet there only exists a limited number of works dedicated to this direction. In particular, there is the work of Kirschner et al. (2020), which bridges the existing literature of Distributionally Robust Optimization (DRO) by casting the BO problem from the lens of DRO. While this work is pioneering, it admittedly suffers from various practical shortcomings such as finite contexts assumptions, leaving behind the main question Can one devise a computationally tractable algorithm for solving this DRO-BO problem? In this work, we tackle this question to a large degree of generality by considering robustness against data-shift in $\phi$-divergences, which subsumes many popular choices, such as the $\chi^2$-divergence, Total Variation, and the extant Kullback-Leibler (KL) divergence. We show that the DRO-BO problem in this setting is equivalent to a finite-dimensional optimization problem which, even in the continuous context setting, can be easily implemented with provable sublinear regret bounds. We then show experimentally that our method surpasses existing methods, attesting to the theoretical results.

Recent findings have shown that highly over-parameterized Neural Networks generalize without pretraining or explicit regularization. It is achieved with zero training error, i.e., complete over-fitting by memorizing the training data. This is surprising, since it is completely against traditional machine learning wisdom. In our empirical study we fortify these findings in the domain of fine-grained image classification. We show that very large Convolutional Neural Networks with millions of weights do learn with only a handful of training samples and without image augmentation, explicit regularization or pretraining. We train the architectures ResNet018, ResNet101 and VGG19 on subsets of the difficult benchmark datasets Caltech101, CUB_200_2011, FGVCAircraft, Flowers102 and StanfordCars with 100 classes and more, perform a comprehensive comparative study and draw implications for the practical application of CNNs. Finally, we show that a randomly initialized VGG19 with 140 million weights learns to distinguish airplanes and motorbikes with up to 95% accuracy using only 20 training samples per class.

Neural network models trained on text data have been found to encode undesirable linguistic or sensitive concepts in their representation. Removing such concepts is non-trivial because of a complex relationship between the concept, text input, and the learnt representation. Recent work has proposed post-hoc and adversarial methods to remove such unwanted concepts from a model's representation. Through an extensive theoretical and empirical analysis, we show that these methods can be counter-productive: they are unable to remove the concepts entirely, and in the worst case may end up destroying all task-relevant features. The reason is the methods' reliance on a probing classifier as a proxy for the concept. Even under the most favorable conditions for learning a probing classifier when a concept's relevant features in representation space alone can provide 100% accuracy, we prove that a probing classifier is likely to use non-concept features and thus post-hoc or adversarial methods will fail to remove the concept correctly. These theoretical implications are confirmed by experiments on models trained on synthetic, Multi-NLI, and Twitter datasets. For sensitive applications of concept removal such as fairness, we recommend caution against using these methods and propose a spuriousness metric to gauge the quality of the final classifier.

Switched systems are capable of modeling processes with underlying dynamics that may change abruptly over time. To achieve accurate modeling in practice, one may need a large number of modes, but this may in turn increase the model complexity drastically. Existing work on reducing system complexity mainly considers state space reduction, yet reducing the number of modes is less studied. In this work, we consider Markov jump linear systems (MJSs), a special class of switched systems where the active mode switches according to a Markov chain, and several issues associated with its mode complexity. Specifically, inspired by clustering techniques from unsupervised learning, we are able to construct a reduced MJS with fewer modes that approximates well the original MJS under various metrics. Furthermore, both theoretically and empirically, we show how one can use the reduced MJS to analyze stability and design controllers with significant reduction in computational cost while achieving guaranteed accuracy.

Many real-world problems can be naturally described by mathematical formulas. The task of finding formulas from a set of observed inputs and outputs is called symbolic regression. Recently, neural networks have been applied to symbolic regression, among which the transformer-based ones seem to be the most promising. After training the transformer on a large number of formulas (in the order of days), the actual inference, i.e., finding a formula for new, unseen data, is very fast (in the order of seconds). This is considerably faster than state-of-the-art evolutionary methods. The main drawback of transformers is that they generate formulas without numerical constants, which have to be optimized separately, so yielding suboptimal results. We propose a transformer-based approach called SymFormer, which predicts the formula by outputting the individual symbols and the corresponding constants simultaneously. This leads to better performance in terms of fitting the available data. In addition, the constants provided by SymFormer serve as a good starting point for subsequent tuning via gradient descent to further improve the performance. We show on a set of benchmarks that SymFormer outperforms two state-of-the-art methods while having faster inference.

The practical success of overparameterized neural networks has motivated the recent scientific study of interpolating methods, which perfectly fit their training data. Certain interpolating methods, including neural networks, can fit noisy training data without catastrophically bad test performance, in defiance of standard intuitions from statistical learning theory. Aiming to explain this, a body of recent work has studied benign overfitting, a phenomenon where some interpolating methods approach Bayes optimality, even in the presence of noise. In this work we argue that while benign overfitting has been instructive and fruitful to study, many real interpolating methods like neural networks do not fit benignly: modest noise in the training set causes nonzero (but non-infinite) excess risk at test time, implying these models are neither benign nor catastrophic but rather fall in an intermediate regime. We call this intermediate regime tempered overfitting, and we initiate its systematic study. We first explore this phenomenon in the context of kernel (ridge) regression (KR) by obtaining conditions on the ridge parameter and kernel eigenspectrum under which KR exhibits each of the three behaviors. We find that kernels with powerlaw spectra, including Laplace kernels and ReLU neural tangent kernels, exhibit tempered overfitting. We then empirically study deep neural networks through the lens of our taxonomy, and find that those trained to interpolation are tempered, while those stopped early are benign. We hope our work leads to a more refined understanding of overfitting in modern learning.

Maintaining proper form while exercising is important for preventing injuries and maximizing muscle mass gains. Detecting errors in workout form naturally requires estimating human's body pose. However, off-the-shelf pose estimators struggle to perform well on the videos recorded in gym scenarios due to factors such as camera angles, occlusion from gym equipment, illumination, and clothing. To aggravate the problem, the errors to be detected in the workouts are very subtle. To that end, we propose to learn exercise-oriented image and video representations from unlabeled samples such that a small dataset annotated by experts suffices for supervised error detection. In particular, our domain knowledge-informed self-supervised approaches (pose contrastive learning and motion disentangling) exploit the harmonic motion of the exercise actions, and capitalize on the large variances in camera angles, clothes, and illumination to learn powerful representations. To facilitate our self-supervised pretraining, and supervised finetuning, we curated a new exercise dataset, \emph{Fitness-AQA} (\url{https://github.com/ParitoshParmar/Fitness-AQA}), comprising of three exercises: BackSquat, BarbellRow, and OverheadPress. It has been annotated by expert trainers for multiple crucial and typically occurring exercise errors. Experimental results show that our self-supervised representations outperform off-the-shelf 2D- and 3D-pose estimators and several other baselines. We also show that our approaches can be applied to other domains/tasks such as pose estimation and dive quality assessment.

Ever since Reddi et al. 2018 pointed out the divergence issue of Adam, many new variants have been designed to obtain convergence. However, vanilla Adam remains exceptionally popular and it works well in practice. Why is there a gap between theory and practice? We point out there is a mismatch between the settings of theory and practice: Reddi et al. 2018 pick the problem after picking the hyperparameters of Adam, i.e., $(\beta_1, \beta_2)$; while practical applications often fix the problem first and then tune $(\beta_1, \beta_2)$. Due to this observation, we conjecture that the empirical convergence can be theoretically justified, only if we change the order of picking the problem and hyperparameter. In this work, we confirm this conjecture. We prove that, when $\beta_2$ is large and $\beta_1 < \sqrt{\beta_2}<1$, Adam converges to the neighborhood of critical points. The size of the neighborhood is propositional to the variance of stochastic gradients. Under an extra condition (strong growth condition), Adam converges to critical points. It is worth mentioning that our results cover a wide range of hyperparameters: as $\beta_2$ increases, our convergence result can cover any $\beta_1 \in [0,1)$ including $\beta_1=0.9$, which is the default setting in deep learning libraries. To our knowledge, this is the first result showing that Adam can converge without any modification on its update rules. Further, our analysis does not require assumptions of bounded gradients or bounded 2nd-order momentum. When $\beta_2$ is small, we further point out a large region of $(\beta_1,\beta_2)$ where Adam can diverge to infinity. Our divergence result considers the same setting as our convergence result, indicating a phase transition from divergence to convergence when increasing $\beta_2$. These positive and negative results can provide suggestions on how to tune Adam hyperparameters.

Today, computer systems hold large amounts of personal data. Yet while such an abundance of data allows breakthroughs in artificial intelligence, and especially machine learning (ML), its existence can be a threat to user privacy, and it can weaken the bonds of trust between humans and AI. Recent regulations now require that, on request, private information about a user must be removed from both computer systems and from ML models, i.e. ``the right to be forgotten''). While removing data from back-end databases should be straightforward, it is not sufficient in the AI context as ML models often `remember' the old data. Contemporary adversarial attacks on trained models have proven that we can learn whether an instance or an attribute belonged to the training data. This phenomenon calls for a new paradigm, namely machine unlearning, to make ML models forget about particular data. It turns out that recent works on machine unlearning have not been able to completely solve the problem due to the lack of common frameworks and resources. Therefore, this paper aspires to present a comprehensive examination of machine unlearning's concepts, scenarios, methods, and applications. Specifically, as a category collection of cutting-edge studies, the intention behind this article is to serve as a comprehensive resource for researchers and practitioners seeking an introduction to machine unlearning and its formulations, design criteria, removal requests, algorithms, and applications. In addition, we aim to highlight the key findings, current trends, and new research areas that have not yet featured the use of machine unlearning but could benefit greatly from it. We hope this survey serves as a valuable resource for ML researchers and those seeking to innovate privacy technologies. Our resources are publicly available at https://github.com/tamlhp/awesome-machine-unlearning.

Physics-informed neural networks (PINN) have recently emerged as a promising application of deep learning in a wide range of engineering and scientific problems based on partial differential equation (PDE) models. However, evidence shows that PINN training by gradient descent displays pathologies that often prevent convergence when solving PDEs with irregular solutions. In this paper, we propose the use of a particle swarm optimization (PSO) approach to train PINNs. The resulting PSO-PINN algorithm not only mitigates the undesired behaviors of PINNs trained with standard gradient descent but also presents an ensemble approach to PINN that affords the possibility of robust predictions with quantified uncertainty. We also propose PSO-BP-CD (PSO with Back-Propagation and Coefficient Decay), a hybrid PSO variant that combines swarm optimization with gradient descent, putting more weight on the latter as training progresses and the swarm zeros in on a good local optimum. Comprehensive experimental results show that PSO-PINN with the proposed PSO-BP-CD algorithm outperforms PINN ensembles trained with other PSO variants or with pure gradient descent.

Causal discovery from observational and interventional data is challenging due to limited data and non-identifiability: factors that introduce uncertainty in estimating the underlying structural causal model (SCM). Selecting experiments (interventions) based on the uncertainty arising from both factors can expedite the identification of the SCM. Existing methods in experimental design for causal discovery from limited data either rely on linear assumptions for the SCM or select only the intervention target. This work incorporates recent advances in Bayesian causal discovery into the Bayesian optimal experimental design framework, allowing for active causal discovery of large, nonlinear SCMs while selecting both the interventional target and the value. We demonstrate the performance of the proposed method on synthetic graphs (Erdos-R\`enyi, Scale Free) for both linear and nonlinear SCMs as well as on the \emph{in-silico} single-cell gene regulatory network dataset, DREAM.

Deploying Reinforcement Learning (RL) agents in the real world requires designing and tuning algorithms for problem-specific objectives such as performance, robustness, or stability. These objectives can frequently change, which will then necessitate further painstaking design and tuning. This paper presents MetaPG, an evolutionary method for designing new loss functions for actor-critic RL algorithms that optimize for different objectives. In particular, we focus on the objectives of final performance in training regime, policy robustness to unseen environment configurations, and training curve stability over random seeds. We initialize our algorithm population from Soft Actor-Critic (SAC) and optimize for these objectives over a set of continuous control tasks from the Real-World RL Benchmark Suite. We find that our method evolves algorithms that, using a single environment during evolution, improve upon SAC's performance and generalizability by 3% and 17%, respectively, and reduce instability up to 65% in that same environment. Then, we scale up to more complex environments from the Brax physics simulator and replicate conditions that can be encountered in practical settings (such as different friction coefficients). MetaPG evolves algorithms that can obtain 9% better policy robustness within the same meta-training environment without loss of performance and robustness when doing cross-domain evaluations in other Brax environments. Lastly, we analyze the structure of the best algorithms in the population and interpret the specific elements that help the algorithm optimize for a certain objective, such as regularizing the critic loss.

Recently, very large pre-trained models achieve state-of-the-art results in various natural language processing (NLP) tasks, but their size makes it more challenging to apply them in resource-constrained environments. Compression techniques allow to drastically reduce the size of the models and therefore their inference time with negligible impact on top-tier metrics. However, the general performance averaged across multiple tasks and/or languages may hide a drastic performance drop on under-represented features, which could result in the amplification of biases encoded by the models. In this work, we assess the impact of compression methods on Multilingual Neural Machine Translation models (MNMT) for various language groups, gender, and semantic biases by extensive analysis of compressed models on different machine translation benchmarks, i.e. FLORES-101, MT-Gender, and DiBiMT. We show that the performance of under-represented languages drops significantly, while the average BLEU metric only slightly decreases. Interestingly, the removal of noisy memorization with compression leads to a significant improvement for some medium-resource languages. Finally, we demonstrate that compression amplifies intrinsic gender and semantic biases, even in high-resource languages. Code: https://github.com/alirezamshi/bias-compressedMT

In this paper, we demonstrate that information retrieval can be accomplished with a single Transformer, in which all information about the corpus is encoded in the parameters of the model. To this end, we introduce the Differentiable Search Index (DSI), a new paradigm that learns a text-to-text model that maps string queries directly to relevant docids; in other words, a DSI model answers queries directly using only its parameters, dramatically simplifying the whole retrieval process. We study variations in how documents and their identifiers are represented, variations in training procedures, and the interplay between models and corpus sizes. Experiments demonstrate that given appropriate design choices, DSI significantly outperforms strong baselines such as dual encoder models. Moreover, DSI demonstrates strong generalization capabilities, outperforming a BM25 baseline in a zero-shot setup.

Obtaining first-order regret bounds -- regret bounds scaling not as the worst-case but with some measure of the performance of the optimal policy on a given instance -- is a core question in sequential decision-making. While such bounds exist in many settings, they have proven elusive in reinforcement learning with large state spaces. In this work we address this gap, and show that it is possible to obtain regret scaling as $\widetilde{\mathcal{O}}(\sqrt{d^3 H^3 \cdot V_1^\star \cdot K} + d^{3.5}H^3\log K )$ in reinforcement learning with large state spaces, namely the linear MDP setting. Here $V_1^\star$ is the value of the optimal policy and $K$ is the number of episodes. We demonstrate that existing techniques based on least squares estimation are insufficient to obtain this result, and instead develop a novel robust self-normalized concentration bound based on the robust Catoni mean estimator, which may be of independent interest.

There has been enormous progress in the last few years in designing neural networks that respect the fundamental symmetries and coordinate freedoms of physical law. Some of these frameworks make use of irreducible representations, some make use of high-order tensor objects, and some apply symmetry-enforcing constraints. Different physical laws obey different combinations of fundamental symmetries, but a large fraction (possibly all) of classical physics is equivariant to translation, rotation, reflection (parity), boost (relativity), and permutations. Here we show that it is simple to parameterize universally approximating polynomial functions that are equivariant under these symmetries, or under the Euclidean, Lorentz, and Poincar\'e groups, at any dimensionality $d$. The key observation is that nonlinear O($d$)-equivariant (and related-group-equivariant) functions can be universally expressed in terms of a lightweight collection of scalars -- scalar products and scalar contractions of the scalar, vector, and tensor inputs. We complement our theory with numerical examples that show that the scalar-based method is simple, efficient, and scalable.

In the field of pattern classification, the training of deep learning classifiers is mostly end-to-end learning, and the loss function is the constraint on the final output (posterior probability) of the network, so the existence of Softmax is essential. In the case of end-to-end learning, there is usually no effective loss function that completely relies on the features of the middle layer to restrict learning, resulting in the distribution of sample latent features is not optimal, so there is still room for improvement in classification accuracy. Based on the concept of Predefined Evenly-Distributed Class Centroids (PEDCC), this article proposes a Softmax-free loss function based on predefined optimal-distribution of latent features-POD Loss. The loss function only restricts the latent features of the samples, including the norm-adaptive Cosine distance between the latent feature vector of the sample and the center of the predefined evenly-distributed class, and the correlation between the latent features of the samples. Finally, Cosine distance is used for classification. Compared with the commonly used Softmax Loss, some typical Softmax related loss functions and PEDCC-Loss, experiments on several commonly used datasets on several typical deep learning classification networks show that the classification performance of POD Loss is always significant better and easier to converge. Code is available in https://github.com/TianYuZu/POD-Loss.

In this paper, we study differentially private empirical risk minimization (DP-ERM). It has been shown that the worst-case utility of DP-ERM reduces polynomially as the dimension increases. This is a major obstacle to privately learning large machine learning models. In high dimension, it is common for some model's parameters to carry more information than others. To exploit this, we propose a differentially private greedy coordinate descent (DP-GCD) algorithm. At each iteration, DP-GCD privately performs a coordinate-wise gradient step along the gradients' (approximately) greatest entry. We show theoretically that DP-GCD can achieve a logarithmic dependence on the dimension for a wide range of problems by naturally exploiting their structural properties (such as quasi-sparse solutions). We illustrate this behavior numerically, both on synthetic and real datasets.

We show that label noise exists in adversarial training. Such label noise is due to the mismatch between the true label distribution of adversarial examples and the label inherited from clean examples - the true label distribution is distorted by the adversarial perturbation, but is neglected by the common practice that inherits labels from clean examples. Recognizing label noise sheds insights on the prevalence of robust overfitting in adversarial training, and explains its intriguing dependence on perturbation radius and data quality. Also, our label noise perspective aligns well with our observations of the epoch-wise double descent in adversarial training. Guided by our analyses, we proposed a method to automatically calibrate the label to address the label noise and robust overfitting. Our method achieves consistent performance improvements across various models and datasets without introducing new hyper-parameters or additional tuning.

We use deep neural networks to machine learn correlations between knot invariants in various dimensions. The three-dimensional invariant of interest is the Jones polynomial $J(q)$, and the four-dimensional invariants are the Khovanov polynomial $\text{Kh}(q,t)$, smooth slice genus $g$, and Rasmussen's $s$-invariant. We find that a two-layer feed-forward neural network can predict $s$ from $\text{Kh}(q,-q^{-4})$ with greater than $99\%$ accuracy. A theoretical explanation for this performance exists in knot theory via the now disproven knight move conjecture, which is obeyed by all knots in our dataset. More surprisingly, we find similar performance for the prediction of $s$ from $\text{Kh}(q,-q^{-2})$, which suggests a novel relationship between the Khovanov and Lee homology theories of a knot. The network predicts $g$ from $\text{Kh}(q,t)$ with similarly high accuracy, and we discuss the extent to which the machine is learning $s$ as opposed to $g$, since there is a general inequality $|s| \leq 2g$. The Jones polynomial, as a three-dimensional invariant, is not obviously related to $s$ or $g$, but the network achieves greater than $95\%$ accuracy in predicting either from $J(q)$. Moreover, similar accuracy can be achieved by evaluating $J(q)$ at roots of unity. This suggests a relationship with $SU(2)$ Chern--Simons theory, and we review the gauge theory construction of Khovanov homology which may be relevant for explaining the network's performance.

We identify and study the phenomenon of policy churn, that is, the rapid change of the greedy policy in value-based reinforcement learning. Policy churn operates at a surprisingly rapid pace, changing the greedy action in a large fraction of states within a handful of learning updates (in a typical deep RL set-up such as DQN on Atari). We characterise the phenomenon empirically, verifying that it is not limited to specific algorithm or environment properties. A number of ablations help whittle down the plausible explanations on why churn occurs to just a handful, all related to deep learning. Finally, we hypothesise that policy churn is a beneficial but overlooked form of implicit exploration that casts $\epsilon$-greedy exploration in a fresh light, namely that $\epsilon$-noise plays a much smaller role than expected.

We present a system for learning a challenging dexterous manipulation task involving moving a cube to an arbitrary 6-DoF pose with only 3-fingers trained with NVIDIA's IsaacGym simulator. We show empirical benefits, both in simulation and sim-to-real transfer, of using keypoints as opposed to position+quaternion representations for the object pose in 6-DoF for policy observations and in reward calculation to train a model-free reinforcement learning agent. By utilizing domain randomization strategies along with the keypoint representation of the pose of the manipulated object, we achieve a high success rate of 83% on a remote TriFinger system maintained by the organizers of the Real Robot Challenge. With the aim of assisting further research in learning in-hand manipulation, we make the codebase of our system, along with trained checkpoints that come with billions of steps of experience available, at https://s2r2-ig.github.io

Intermittent connectivity of clients to the parameter server (PS) is a major bottleneck in federated edge learning frameworks. The lack of constant connectivity induces a large generalization gap, especially when the local data distribution amongst clients exhibits heterogeneity. To overcome intermittent communication outages between clients and the central PS, we introduce the concept of collaborative relaying wherein the participating clients relay their neighbors' local updates to the PS in order to boost the participation of clients with poor connectivity to the PS. We propose a semi-decentralized federated learning framework in which at every communication round, each client initially computes a local consensus of a subset of its neighboring clients' updates, and eventually transmits to the PS a weighted average of its own update and those of its neighbors'. We appropriately optimize these local consensus weights to ensure that the global update at the PS is unbiased with minimal variance - consequently improving the convergence rate. Numerical evaluations on the CIFAR-10 dataset demonstrate that our collaborative relaying approach outperforms federated averaging-based benchmarks for learning over intermittently-connected networks such as when the clients communicate over millimeter wave channels with intermittent blockages.

In online learning problems, exploiting low variance plays an important role in obtaining tight performance guarantees yet is challenging because variances are often not known a priori. Recently, considerable progress has been made by Zhang et al. (2021) where they obtain a variance-adaptive regret bound for linear bandits without knowledge of the variances and a horizon-free regret bound for linear mixture Markov decision processes (MDPs). In this paper, we present novel analyses that improve their regret bounds significantly. For linear bandits, we achieve $\tilde O(\min\{d\sqrt{K}, d^{1.5}\sqrt{\sum_{k=1}^K \sigma_k^2}\} + d^2)$ where $d$ is the dimension of the features, $K$ is the time horizon, and $\sigma_k^2$ is the noise variance at time step $k$, and $\tilde O$ ignores polylogarithmic dependence, which is a factor of $d^3$ improvement. For linear mixture MDPs with the assumption of maximum cumulative reward in an episode being in $[0,1]$, we achieve a horizon-free regret bound of $\tilde O(d \sqrt{K} + d^2)$ where $d$ is the number of base models and $K$ is the number of episodes. This is a factor of $d^{3.5}$ improvement in the leading term and $d^7$ in the lower order term. Our analysis critically relies on a novel peeling-based regret analysis that leverages the elliptical potential `count' lemma.

We propose a new approach to learn to segment multiple image objects without manual supervision. The method can extract objects form still images, but uses videos for supervision. While prior works have considered motion for segmentation, a key insight is that, while motion can be used to identify objects, not all objects are necessarily in motion: the absence of motion does not imply the absence of objects. Hence, our model learns to predict image regions that are likely to contain motion patterns characteristic of objects moving rigidly. It does not predict specific motion, which cannot be done unambiguously from a still image, but a distribution of possible motions, which includes the possibility that an object does not move at all. We demonstrate the advantage of this approach over its deterministic counterpart and show state-of-the-art unsupervised object segmentation performance on simulated and real-world benchmarks, surpassing methods that use motion even at test time. As our approach is applicable to variety of network architectures that segment the scenes, we also apply it to existing image reconstruction-based models showing drastic improvement. Project page and code: https://www.robots.ox.ac.uk/~vgg/research/ppmp .

Accurate simulation of soft mechanisms under dynamic actuation is critical for the design of soft robots. We address this gap with our differentiable simulation tool by learning the material parameters of our soft robotic fish. On the example of a soft robotic fish, we demonstrate an experimentally-verified, fast optimization pipeline for learning the material parameters from quasi-static data via differentiable simulation and apply it to the prediction of dynamic performance. Our method identifies physically plausible Young's moduli for various soft silicone elastomers and stiff acetal copolymers used in creation of our three different robotic fish tail designs. We show that our method is compatible with varying internal geometry of the actuators, such as the number of hollow cavities. Our framework allows high fidelity prediction of dynamic behavior for composite bi-morph bending structures in real hardware to millimeter-accuracy and within 3 percent error normalized to actuator length. We provide a differentiable and robust estimate of the thrust force using a neural network thrust predictor; this estimate allows for accurate modeling of our experimental setup measuring bollard pull. This work presents a prototypical hardware and simulation problem solved using our differentiable framework; the framework can be applied to higher dimensional parameter inference, learning control policies, and computational design due to its differentiable character.

Technology is essential to innovation and economic prosperity. Understanding technological changes can guide innovators to find new directions of design innovation and thus make breakthroughs. In this work, we construct a technology fitness landscape via deep neural embeddings of patent data. The landscape consists of 1,757 technology domains and their respective improvement rates. In the landscape, we found a high hill related to information and communication technologies (ICT) and a vast low plain of the remaining domains. The landscape presents a bird's eye view of the structure of the total technology space, providing a new way for innovators to interpret technology evolution with a biological analogy, and a biologically-inspired inference to the next innovation.

Deep neural networks achieve remarkable performances on a wide range of tasks with the aid of large-scale labeled datasets. Yet these datasets are time-consuming and labor-exhaustive to obtain on realistic tasks. To mitigate the requirement for labeled data, self-training is widely used in semi-supervised learning by iteratively assigning pseudo labels to unlabeled samples. Despite its popularity, self-training is well-believed to be unreliable and often leads to training instability. Our experimental studies further reveal that the bias in semi-supervised learning arises from both the problem itself and the inappropriate training with potentially incorrect pseudo labels, which accumulates the error in the iterative self-training process. To reduce the above bias, we propose Debiased Self-Training (DST). First, the generation and utilization of pseudo labels are decoupled by two parameter-independent classifier heads to avoid direct error accumulation. Second, we estimate the worst case of self-training bias, where the pseudo labeling function is accurate on labeled samples, yet makes as many mistakes as possible on unlabeled samples. We then adversarially optimize the representations to improve the quality of pseudo labels by avoiding the worst case. Extensive experiments justify that DST achieves an average improvement of 6.3% against state-of-the-art methods on standard semi-supervised learning benchmark datasets and 18.9%$ against FixMatch on 13 diverse tasks. Furthermore, DST can be seamlessly adapted to other self-training methods and help stabilize their training and balance performance across classes in both cases of training from scratch and finetuning from pre-trained models.

Dataset distillation compresses large datasets into smaller synthetic coresets which retain performance with the aim of reducing the storage and computational burden of processing the entire dataset. Today's best-performing algorithm, \textit{Kernel Inducing Points} (KIP), which makes use of the correspondence between infinite-width neural networks and kernel-ridge regression, is prohibitively slow due to the exact computation of the neural tangent kernel matrix, scaling $O(|S|^2)$, with $|S|$ being the coreset size. To improve this, we propose a novel algorithm that uses a random feature approximation (RFA) of the Neural Network Gaussian Process (NNGP) kernel, which reduces the kernel matrix computation to $O(|S|)$. Our algorithm provides at least a 100-fold speedup over KIP and can run on a single GPU. Our new method, termed an RFA Distillation (RFAD), performs competitively with KIP and other dataset condensation algorithms in accuracy over a range of large-scale datasets, both in kernel regression and finite-width network training. We demonstrate the effectiveness of our approach on tasks involving model interpretability and privacy preservation.

Diffusion models can be viewed as mapping points in a high-dimensional latent space onto a low-dimensional learned manifold, typically an image manifold. The intermediate values between the latent space and image manifold can be interpreted as noisy images which are determined by the noise scheduling scheme employed during pre-training. We exploit this interpretation to introduce Boomerang, a local image manifold sampling approach using the dynamics of diffusion models. We call it Boomerang because we first add noise to an input image, moving it closer to the latent space, then bring it back to the image space through diffusion dynamics. We use this method to generate images which are similar, but nonidentical, to the original input images on the image manifold. We are able to set how close the generated image is to the original based on how much noise we add. Additionally, the generated images have a degree of stochasticity, allowing us to locally sample as many times as we want without repetition. We show three applications for which Boomerang can be used. First, we provide a framework for constructing privacy-preserving datasets having controllable degrees of anonymity. Second, we show how to use Boomerang for data augmentation while staying on the image manifold. Third, we introduce a framework for image super-resolution with 8x upsampling. Boomerang does not require any modification to the training of diffusion models and can be used with pretrained models on a single, inexpensive GPU.

Even after decades of quantum computing development, examples of generally useful quantum algorithms with exponential speedups over classical counterparts are scarce. Recent progress in quantum algorithms for linear-algebra positioned quantum machine learning (QML) as a potential source of such useful exponential improvements. Yet, in an unexpected development, a recent series of "dequantization" results has equally rapidly removed the promise of exponential speedups for several QML algorithms. This raises the critical question whether exponential speedups of other linear-algebraic QML algorithms persist. In this paper, we study the quantum-algorithmic methods behind the algorithm for topological data analysis of Lloyd, Garnerone and Zanardi through this lens. We provide evidence that the problem solved by this algorithm is classically intractable by showing that its natural generalization is as hard as simulating the one clean qubit model -- which is widely believed to require superpolynomial time on a classical computer -- and is thus very likely immune to dequantizations. Based on this result, we provide a number of new quantum algorithms for problems such as rank estimation and complex network analysis, along with complexity-theoretic evidence for their classical intractability. Furthermore, we analyze the suitability of the proposed quantum algorithms for near-term implementations. Our results provide a number of useful applications for full-blown, and restricted quantum computers with a guaranteed exponential speedup over classical methods, recovering some of the potential for linear-algebraic QML to become one of quantum computing's killer applications.

Extensive research has been conducted, over recent years, on various ways of enhancing heuristic search for combinatorial optimization problems with machine learning algorithms. In this study, we investigate the use of predictions from graph neural networks (GNNs) in the form of heatmaps to improve the Hybrid Genetic Search (HGS), a state-of-the-art algorithm for the Capacitated Vehicle Routing Problem (CVRP). The crossover and local-search components of HGS are instrumental in finding improved solutions, yet these components essentially rely on simple greedy or random choices. It seems intuitive to attempt to incorporate additional knowledge at these levels. Throughout a vast experimental campaign on more than 10,000 problem instances, we show that exploiting more sophisticated strategies using measures of node relatedness (heatmaps, or simply distance) within these algorithmic components can significantly enhance performance. However, contrary to initial expectations, we also observed that heatmaps did not present significant advantages over simpler distance measures for these purposes. Therefore, we faced a common -- though rarely documented -- situation of overkill: GNNs can indeed improve performance on an important optimization task, but an ablation analysis demonstrated that simpler alternatives perform equally well.

Singular-Value Decomposition (SVD) is a ubiquitous data analysis method in engineering, science, and statistics. Singular-value estimation, in particular, is of critical importance in an array of engineering applications, such as channel estimation in communication systems, electromyography signal analysis, and image compression, to name just a few. Conventional SVD of a data matrix coincides with standard Principal-Component Analysis (PCA). The L2-norm (sum of squared values) formulation of PCA promotes peripheral data points and, thus, makes PCA sensitive against outliers. Naturally, SVD inherits this outlier sensitivity. In this work, we present a novel robust non-parametric method for SVD and singular-value estimation based on a L1-norm (sum of absolute values) formulation, which we name L1-cSVD. Accordingly, the proposed method demonstrates sturdy resistance against outliers and can facilitate more reliable data analysis and processing in a wide range of engineering applications.

Graph few-shot learning is of great importance among various graph learning tasks. Under the few-shot scenario, models are often required to conduct classification given limited labeled samples. Existing graph few-shot learning methods typically leverage Graph Neural Networks (GNNs) and perform classification across a series of meta-tasks. Nevertheless, these methods generally rely on the original graph (i.e., the graph that the meta-task is sampled from) to learn node representations. Consequently, the graph structure used in each meta-task is identical. Since the class sets are different across meta-tasks, node representations should be learned in a task-specific manner to promote classification performance. Therefore, to adaptively learn node representations across meta-tasks, we propose a novel framework that learns a task-specific structure for each meta-task. To handle the variety of nodes across meta-tasks, we extract relevant nodes and learn task-specific structures based on node influence and mutual information. In this way, we can learn node representations with the task-specific structure tailored for each meta-task. We further conduct extensive experiments on five node classification datasets under both single- and multiple-graph settings to validate the superiority of our framework over the state-of-the-art baselines. Our code is provided at https://github.com/SongW-SW/GLITTER.

The paper defines and studies manifold (M) convolutional filters and neural networks (NNs). \emph{Manifold} filters and MNNs are defined in terms of the Laplace-Beltrami operator exponential and are such that \emph{graph} (G) filters and neural networks (NNs) are recovered as discrete approximations when the manifold is sampled. These filters admit a spectral representation which is a generalization of both the spectral representation of graph filters and the frequency response of standard convolutional filters in continuous time. The main technical contribution of the paper is to analyze the stability of manifold filters and MNNs to smooth deformations of the manifold. This analysis generalizes known stability properties of graph filters and GNNs and it is also a generalization of known stability properties of standard convolutional filters and neural networks in continuous time. The most important observation that follows from this analysis is that manifold filters, same as graph filters and standard continuous time filters, have difficulty discriminating high frequency components in the presence of deformations. This is a challenge that can be ameliorated with the use of manifold, graph, or continuous time neural networks. The most important practical consequence of this analysis is to shed light on the behavior of graph filters and GNNs in large scale graphs.

We propose a new stochastic primal-dual optimization algorithm for planning in a large discounted Markov decision process with a generative model and linear function approximation. Assuming that the feature map approximately satisfies standard realizability and Bellman-closedness conditions and also that the feature vectors of all state-action pairs are representable as convex combinations of a small core set of state-action pairs, we show that our method outputs a near-optimal policy after a polynomial number of queries to the generative model. Our method is computationally efficient and comes with the major advantage that it outputs a single softmax policy that is compactly represented by a low-dimensional parameter vector, and does not need to execute computationally expensive local planning subroutines in runtime.

Imitation learning aims to extract knowledge from human experts' demonstrations or artificially created agents in order to replicate their behaviors. Its success has been demonstrated in areas such as video games, autonomous driving, robotic simulations and object manipulation. However, this replicating process could be problematic, such as the performance is highly dependent on the demonstration quality, and most trained agents are limited to perform well in task-specific environments. In this survey, we provide a systematic review on imitation learning. We first introduce the background knowledge from development history and preliminaries, followed by presenting different taxonomies within Imitation Learning and key milestones of the field. We then detail challenges in learning strategies and present research opportunities with learning policy from suboptimal demonstration, voice instructions and other associated optimization schemes.

The increasing availability of video recordings made by multiple cameras has offered new means for mitigating occlusion and depth ambiguities in pose and motion reconstruction methods. Yet, multi-view algorithms strongly depend on camera parameters; particularly, the relative transformations between the cameras. Such a dependency becomes a hurdle once shifting to dynamic capture in uncontrolled settings. We introduce FLEX (Free muLti-view rEconstruXion), an end-to-end extrinsic parameter-free multi-view model. FLEX is extrinsic parameter-free (dubbed ep-free) in the sense that it does not require extrinsic camera parameters. Our key idea is that the 3D angles between skeletal parts, as well as bone lengths, are invariant to the camera position. Hence, learning 3D rotations and bone lengths rather than locations allows predicting common values for all camera views. Our network takes multiple video streams, learns fused deep features through a novel multi-view fusion layer, and reconstructs a single consistent skeleton with temporally coherent joint rotations. We demonstrate quantitative and qualitative results on three public datasets, and on synthetic multi-person video streams captured by dynamic cameras. We compare our model to state-of-the-art methods that are not ep-free and show that in the absence of camera parameters, we outperform them by a large margin while obtaining comparable results when camera parameters are available. Code, trained models, and other materials are available on our project page.

We present a unified and compact representation for object rendering, 3D reconstruction, and grasp pose prediction that can be inferred from a single image within a few seconds. We achieve this by leveraging recent advances in the Neural Radiance Field (NeRF) literature that learn category-level priors and fine-tune on novel objects with minimal data and time. Our insight is that we can learn a compact shape representation and extract meaningful additional information from it, such as grasping poses. We believe this to be the first work to retrieve grasping poses directly from a NeRF-based representation using a single viewpoint (RGB-only), rather than going through a secondary network and/or representation. When compared to prior art, our method is two to three orders of magnitude smaller while achieving comparable performance at view reconstruction and grasping. Accompanying our method, we also propose a new dataset of rendered shoes for training a sim-2-real NeRF method with grasping poses for different widths of grippers.

Weather extremes are a major societal and economic hazard, claiming thousands of lives and causing billions of dollars in damage every year. Under climate change, their impact and intensity are expected to worsen significantly. Unfortunately, general circulation models (GCMs), which are currently the primary tool for climate projections, cannot characterize weather extremes accurately. To address this, we present a multi-resolution deep-learning framework that, firstly, corrects a GCM's biases by matching low-order and tail statistics of its output with observations at coarse scales; and secondly, increases the level of detail of the debiased GCM output by reconstructing the finer scales as a function of the coarse scales. We use the proposed framework to generate statistically realistic realizations of the climate over Western Europe from a simple GCM corrected using observational atmospheric reanalysis. We also discuss implications for probabilistic risk assessment of natural disasters in a changing climate.

Supervised learning in reproducing kernel Hilbert space (RKHS) and vector-valued RKHS (vvRKHS) has been investigated for more than 30 years. In this paper, we provide a new twist to this rich literature by generalizing supervised learning in RKHS and vvRKHS to reproducing kernel Hilbert $C^*$-module (RKHM), and show how to construct effective positive-definite kernels by considering the perspective of $C^*$-algebra. Unlike the cases of RKHS and vvRKHS, we can use $C^*$-algebras to enlarge representation spaces. This enables us to construct RKHMs whose representation power goes beyond RKHSs, vvRKHSs, and existing methods such as convolutional neural networks. Our framework is suitable, for example, for effectively analyzing image data by allowing the interaction of Fourier components.

As computer vision systems become more widely deployed, there is increasing concern from both the research community and the public that these systems are not only reproducing but amplifying harmful social biases. The phenomenon of bias amplification, which is the focus of this work, refers to models amplifying inherent training set biases at test time. Existing metrics measure bias amplification with respect to single annotated attributes (e.g., $\texttt{computer}$). However, several visual datasets consist of images with multiple attribute annotations. We show models can learn to exploit correlations with respect to multiple attributes (e.g., {$\texttt{computer}$, $\texttt{keyboard}$}), which are not accounted for by current metrics. In addition, we show current metrics can give the erroneous impression that minimal or no bias amplification has occurred as they involve aggregating over positive and negative values. Further, these metrics lack a clear desired value, making them difficult to interpret. To address these shortcomings, we propose a new metric: Multi-Attribute Bias Amplification. We validate our proposed metric through an analysis of gender bias amplification on the COCO and imSitu datasets. Finally, we benchmark bias mitigation methods using our proposed metric, suggesting possible avenues for future bias mitigation

Hessian captures important properties of the deep neural network loss landscape. Previous works have observed low rank structure in the Hessians of neural networks. In this paper, we propose a decoupling conjecture that decomposes the layer-wise Hessians of a network as the Kronecker product of two smaller matrices. We can analyze the properties of these smaller matrices and prove the structure of top eigenspace random 2-layer networks. The decoupling conjecture has several other interesting implications - top eigenspaces for different models have surprisingly high overlap, and top eigenvectors form low rank matrices when they are reshaped into the same shape as the corresponding weight matrix. All of these can be verified empirically for deeper networks. Finally, we use the structure of layer-wise Hessian to get better explicit generalization bounds for neural networks.

When fine-tuning large neural networks, it is common to use multiple nodes and to communicate gradients at each optimization step. By contrast, we investigate completely local fine-tuning, which we refer to as lo-fi. During lo-fi, each node is fine-tuned independently without any communication. Then, the weights are averaged across nodes at the conclusion of fine-tuning. When fine-tuning DeiT-base and DeiT-large on ImageNet, this procedure matches accuracy in-distribution and improves accuracy under distribution shift compared to the baseline, which observes the same amount of data but communicates gradients at each step. We also observe that lo-fi matches the baseline's performance when fine-tuning OPT language models (up to 1.3B parameters) on Common Crawl. By removing the communication requirement, lo-fi reduces resource barriers for fine-tuning large models and enables fine-tuning in settings with prohibitive communication cost.

Successful coordination in Dec-POMDPs requires agents to adopt robust strategies and interpretable styles of play for their partner. A common failure mode is symmetry breaking, when agents arbitrarily converge on one out of many equivalent but mutually incompatible policies. Commonly these examples include partial observability, e.g. waving your right hand vs. left hand to convey a covert message. In this paper, we present a novel equivariant network architecture for use in Dec-POMDPs that prevents the agent from learning policies which break symmetries, doing so more effectively than prior methods. Our method also acts as a "coordination-improvement operator" for generic, pre-trained policies, and thus may be applied at test-time in conjunction with any self-play algorithm. We provide theoretical guarantees of our work and test on the AI benchmark task of Hanabi, where we demonstrate our methods outperforming other symmetry-aware baselines in zero-shot coordination, as well as able to improve the coordination ability of a variety of pre-trained policies. In particular, we show our method can be used to improve on the state of the art for zero-shot coordination on the Hanabi benchmark.

Controlled feature selection aims to discover the features a response depends on while limiting the false discovery rate (FDR) to a predefined level. Recently, multiple deep-learning-based methods have been proposed to perform controlled feature selection through the Model-X knockoff framework. We demonstrate, however, that these methods often fail to control the FDR for two reasons. First, these methods often learn inaccurate models of features. Second, the "swap" property, which is required for knockoffs to be valid, is often not well enforced. We propose a new procedure called FlowSelect to perform controlled feature selection that does not suffer from either of these two problems. To more accurately model the features, FlowSelect uses normalizing flows, the state-of-the-art method for density estimation. Instead of enforcing the "swap" property, FlowSelect uses a novel MCMC-based procedure to calculate p-values for each feature directly. Asymptotically, FlowSelect computes valid p-values. Empirically, FlowSelect consistently controls the FDR on both synthetic and semi-synthetic benchmarks, whereas competing knockoff-based approaches do not. FlowSelect also demonstrates greater power on these benchmarks. Additionally, FlowSelect correctly infers the genetic variants associated with specific soybean traits from GWAS data.

Neural networks are a powerful class of non-linear functions. However, their black-box nature makes it difficult to explain their behaviour and certify their safety. Abstraction techniques address this challenge by transforming the neural network into a simpler, over-approximated function. Unfortunately, existing abstraction techniques are slack, which limits their applicability to small local regions of the input domain. In this paper, we propose Global Interval Neural Network Abstractions with Center-Exact Reconstruction (GINNACER). Our novel abstraction technique produces sound over-approximation bounds over the whole input domain while guaranteeing exact reconstructions for any given local input. Our experiments show that GINNACER is several orders of magnitude tighter than state-of-the-art global abstraction techniques, while being competitive with local ones.

A fundamental task in science is to design experiments that yield valuable insights about the system under study. Mathematically, these insights can be represented as a utility or risk function that shapes the value of conducting each experiment. We present PDBAL, a targeted active learning method that adaptively designs experiments to maximize scientific utility. PDBAL takes a user-specified risk function and combines it with a probabilistic model of the experimental outcomes to choose designs that rapidly converge on a high-utility model. We prove theoretical bounds on the label complexity of PDBAL and provide fast closed-form solutions for designing experiments with common exponential family likelihoods. In simulation studies, PDBAL consistently outperforms standard untargeted approaches that focus on maximizing expected information gain over the design space. Finally, we demonstrate the scientific potential of PDBAL through a study on a large cancer drug screen dataset where PDBAL quickly recovers the most efficacious drugs with a small fraction of the total number of experiments.

Neural backdoors represent one primary threat to the security of deep learning systems. The intensive research has produced a plethora of backdoor attacks/defenses, resulting in a constant arms race. However, due to the lack of evaluation benchmarks, many critical questions remain under-explored: (i) what are the strengths and limitations of different attacks/defenses? (ii) what are the best practices to operate them? and (iii) how can the existing attacks/defenses be further improved? To bridge this gap, we design and implement TROJANZOO, the first open-source platform for evaluating neural backdoor attacks/defenses in a unified, holistic, and practical manner. Thus far, focusing on the computer vision domain, it has incorporated 8 representative attacks, 14 state-of-the-art defenses, 6 attack performance metrics, 10 defense utility metrics, as well as rich tools for in-depth analysis of the attack-defense interactions. Leveraging TROJANZOO, we conduct a systematic study on the existing attacks/defenses, unveiling their complex design spectrum: both manifest intricate trade-offs among multiple desiderata (e.g., the effectiveness, evasiveness, and transferability of attacks). We further explore improving the existing attacks/defenses, leading to a number of interesting findings: (i) one-pixel triggers often suffice; (ii) training from scratch often outperforms perturbing benign models to craft trojan models; (iii) optimizing triggers and trojan models jointly greatly improves both attack effectiveness and evasiveness; (iv) individual defenses can often be evaded by adaptive attacks; and (v) exploiting model interpretability significantly improves defense robustness. We envision that TROJANZOO will serve as a valuable platform to facilitate future research on neural backdoors.

Black-box machine learning models are being used in more and more high-stakes domains, which creates a growing need for Explainable AI (XAI). Unfortunately, the use of XAI in machine learning introduces new privacy risks, which currently remain largely unnoticed. We introduce the explanation linkage attack, which can occur when deploying instance-based strategies to find counterfactual explanations. To counter such an attack, we propose k-anonymous counterfactual explanations and introduce pureness as a new metric to evaluate the validity of these k-anonymous counterfactual explanations. Our results show that making the explanations, rather than the whole dataset, k- anonymous, is beneficial for the quality of the explanations.

A burgeoning line of research has developed deep neural networks capable of approximating the solutions to high dimensional PDEs, opening related lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most theoretical analyses thus far have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as \emph{nonlinear elliptic variational PDEs}, whose solutions minimize an \emph{Euler-Lagrange} energy functional $\mathcal{E}(u) = \int_\Omega L(\nabla u) dx$. We show that if composing a function with Barron norm $b$ with $L$ produces a function of Barron norm at most $B_L b^p$, the solution to the PDE can be $\epsilon$-approximated in the $L^2$ sense by a function with Barron norm $O\left(\left(dB_L\right)^{p^{\log(1/\epsilon)}}\right)$. By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating $p, \epsilon, B_L$ as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs.

Motion planning and control are crucial components of robotics applications. Here, spatio-temporal hard constraints like system dynamics and safety boundaries (e.g., obstacles in automated driving) restrict the robot's motions. Direct methods from optimal control solve a constrained optimization problem. However, in many applications finding a proper cost function is inherently difficult because of the weighting of partially conflicting objectives. On the other hand, Imitation Learning (IL) methods such as Behavior Cloning (BC) provide a intuitive framework for learning decision-making from offline demonstrations and constitute a promising avenue for planning and control in complex robot applications. Prior work primarily relied on soft-constraint approaches, which use additional auxiliary loss terms describing the constraints. However, catastrophic safety-critical failures might occur in out-of-distribution (OOD) scenarios. This work integrates the flexibility of IL with hard constraint handling in optimal control. Our approach constitutes a general framework for constraint robotic motion planning and control using offline IL. Hard constraints are integrated into the learning problem in a differentiable manner, via explicit completion and gradient-based correction. Simulated experiments of mobile robot navigation and automated driving provide evidence for the performance of the proposed method.

Universal sound separation consists of separating mixes with arbitrary sounds of different types, and permutation invariant training (PIT) is used to train source agnostic models that do so. In this work, we complement PIT with adversarial losses but find it challenging with the standard formulation used in speech source separation. We overcome this challenge with a novel I-replacement context-based adversarial loss, and by training with multiple discriminators. Our experiments show that by simply improving the loss (keeping the same model and dataset) we obtain a non-negligible improvement of 1.4 dB SI-SNRi in the reverberant FUSS dataset. We also find adversarial PIT to be effective at reducing spectral holes, ubiquitous in mask-based separation models, which highlights the potential relevance of adversarial losses for source separation.

Despite the ever-increasing interest in applying deep learning (DL) models to medical imaging, the typical scarcity and imbalance of medical datasets can severely impact the performance of DL models. The generation of synthetic data that might be freely shared without compromising patient privacy is a well-known technique for addressing these difficulties. Inpainting algorithms are a subset of DL generative models that can alter one or more regions of an input image while matching its surrounding context and, in certain cases, non-imaging input conditions. Although the majority of inpainting techniques for medical imaging data use generative adversarial networks (GANs), the performance of these algorithms is frequently suboptimal due to their limited output variety, a problem that is already well-known for GANs. Denoising diffusion probabilistic models (DDPMs) are a recently introduced family of generative networks that can generate results of comparable quality to GANs, but with diverse outputs. In this paper, we describe a DDPM to execute multiple inpainting tasks on 2D axial slices of brain MRI with various sequences, and present proof-of-concept examples of its performance in a variety of evaluation scenarios. Our model and a public online interface to try our tool are available at: https://github.com/Mayo-Radiology-Informatics-Lab/MBTI

This paper studies the problem of graph-level clustering, which is a novel yet challenging task. This problem is critical in a variety of real-world applications such as protein clustering and genome analysis in bioinformatics. Recent years have witnessed the success of deep clustering coupled with graph neural networks (GNNs). However, existing methods focus on clustering among nodes given a single graph, while exploring clustering on multiple graphs is still under-explored. In this paper, we propose a general graph-level clustering framework named Graph-Level Contrastive Clustering (GLCC) given multiple graphs. Specifically, GLCC first constructs an adaptive affinity graph to explore instance- and cluster-level contrastive learning (CL). Instance-level CL leverages graph Laplacian based contrastive loss to learn clustering-friendly representations while cluster-level CL captures discriminative cluster representations incorporating neighbor information of each sample. Moreover, we utilize neighbor-aware pseudo-labels to reward the optimization of representation learning. The two steps can be alternatively trained to collaborate and benefit each other. Experiments on a range of well-known datasets demonstrate the superiority of our proposed GLCC over competitive baselines.

This paper focuses on computing the convex conjugate operation that arises when solving Euclidean Wasserstein-2 optimal transport problems. This conjugation, which is also referred to as the Legendre-Fenchel conjugate or $c$-transform, is considered difficult to compute and in practice, Wasserstein-2 methods are limited by not being able to exactly conjugate the dual potentials in continuous space. I show that combining amortized approximations to the conjugate with a solver for fine-tuning is computationally easy. This combination significantly improves the quality of transport maps learned for the Wasserstein-2 benchmark by Korotin et al. (2021) and is able to model many 2-dimensional couplings and flows considered in the literature. All of the baselines, methods, and solvers in this paper are available at this http URL

Accurate wind turbine power curve models, which translate ambient conditions into turbine power output, are crucial for wind energy to scale and fulfil its proposed role in the global energy transition. Machine learning methods, in particular deep neural networks (DNNs), have shown significant advantages over parametric, physics-informed power curve modelling approaches. Nevertheless, they are often criticised as opaque black boxes with no physical understanding of the system they model, which hinders their application in practice. We apply Shapley values, a popular explainable artificial intelligence (XAI) method, to, for the first time, uncover and validate the strategies learned by DNNs from operational wind turbine data. Our findings show that the trend towards ever larger model architectures, driven by the focus on test-set performance, can result in physically implausible model strategies, similar to the Clever Hans effect observed in classification. We, therefore, call for a more prominent role of XAI methods in model selection and additionally offer a practical strategy to use model explanations for wind turbine condition monitoring.

Traffic speed is central to characterizing the fluidity of the road network. Many transportation applications rely on it, such as real-time navigation, dynamic route planning, and congestion management. Rapid advances in sensing and communication techniques make traffic speed detection easier than ever. However, due to sparse deployment of static sensors or low penetration of mobile sensors, speeds detected are incomplete and far from network-wide use. In addition, sensors are prone to error or missing data due to various kinds of reasons, speeds from these sensors can become highly noisy. These drawbacks call for effective techniques to recover credible estimates from the incomplete data. In this work, we first identify the problem as a spatiotemporal kriging problem and propose a unified graph embedded tensor (SGET) learning framework featuring both low-rankness and multi-dimensional correlations for network-wide traffic speed kriging under limited observations. To be specific, three types of speed correlation including temporal continuity, temporal periodicity, and spatial proximity are carefully chosen. We then design an efficient solution algorithm via several effective numeric techniques to scale up the proposed model to network-wide kriging. By performing experiments on two public million-level traffic speed datasets, we finally draw the conclusion and find our proposed SGET achieves the state-of-the-art kriging performance even under low observation rates, while at the same time saving more than half computing time compared with baseline methods. Some insights into spatiotemporal traffic data kriging at the network level are provided as well.

Two key challenges facing modern deep learning are mitigating deep networks' vulnerability to adversarial attacks and understanding deep learning's generalization capabilities. Towards the first issue, many defense strategies have been developed, with the most common being Adversarial Training (AT). Towards the second challenge, one of the dominant theories that has emerged is the Neural Tangent Kernel (NTK) -- a characterization of neural network behavior in the infinite-width limit. In this limit, the kernel is frozen, and the underlying feature map is fixed. In finite widths, however, there is evidence that feature learning happens at the earlier stages of the training (kernel learning) before a second phase where the kernel remains fixed (lazy training). While prior work has aimed at studying adversarial vulnerability through the lens of the frozen infinite-width NTK, there is no work that studies the adversarial robustness of the empirical/finite NTK during training. In this work, we perform an empirical study of the evolution of the empirical NTK under standard and adversarial training, aiming to disambiguate the effect of adversarial training on kernel learning and lazy training. We find under adversarial training, the empirical NTK rapidly converges to a different kernel (and feature map) than standard training. This new kernel provides adversarial robustness, even when non-robust training is performed on top of it. Furthermore, we find that adversarial training on top of a fixed kernel can yield a classifier with $76.1\%$ robust accuracy under PGD attacks with $\varepsilon = 4/255$ on CIFAR-10.

Assessing the validity of a real-world system with respect to given quality criteria is a common yet costly task in industrial applications due to the vast number of required real-world tests. Validating such systems by means of simulation offers a promising and less expensive alternative, but requires an assessment of the simulation accuracy and therefore end-to-end measurements. Additionally, covariate shifts between simulations and actual usage can cause difficulties for estimating the reliability of such systems. In this work, we present a validation method that propagates bounds on distributional discrepancy measures through a composite system, thereby allowing us to derive an upper bound on the failure probability of the real system from potentially inaccurate simulations. Each propagation step entails an optimization problem, where -- for measures such as maximum mean discrepancy (MMD) -- we develop tight convex relaxations based on semidefinite programs. We demonstrate that our propagation method yields valid and useful bounds for composite systems exhibiting a variety of realistic effects. In particular, we show that the proposed method can successfully account for data shifts within the experimental design as well as model inaccuracies within the used simulation.

Neural retrieval models have superseded classic bag-of-words methods such as BM25 as the retrieval framework of choice. However, neural systems lack the interpretability of bag-of-words models; it is not trivial to connect a query change to a change in the latent space that ultimately determines the retrieval results. To shed light on this embedding space, we learn a "query decoder" that, given a latent representation of a neural search engine, generates the corresponding query. We show that it is possible to decode a meaningful query from its latent representation and, when moving in the right direction in latent space, to decode a query that retrieves the relevant paragraph. In particular, the query decoder can be useful to understand "what should have been asked" to retrieve a particular paragraph from the collection. We employ the query decoder to generate a large synthetic dataset of query reformulations for MSMarco, leading to improved retrieval performance. On this data, we train a pseudo-relevance feedback (PRF) T5 model for the application of query suggestion that outperforms both query reformulation and PRF information retrieval baselines.

Explaining the behavior of reinforcement learning agents operating in sequential decision-making settings is challenging, as their behavior is affected by a dynamic environment and delayed rewards. Methods that help users understand the behavior of such agents can roughly be divided into local explanations that analyze specific decisions of the agents and global explanations that convey the general strategy of the agents. In this work, we study a novel combination of local and global explanations for reinforcement learning agents. Specifically, we combine reward decomposition, a local explanation method that exposes which components of the reward function influenced a specific decision, and HIGHLIGHTS, a global explanation method that shows a summary of the agent's behavior in decisive states. We conducted two user studies to evaluate the integration of these explanation methods and their respective benefits. Our results show significant benefits for both methods. In general, we found that the local reward decomposition was more useful for identifying the agents' priorities. However, when there was only a minor difference between the agents' preferences, then the global information provided by HIGHLIGHTS additionally improved participants' understanding.

We study the stochastic contextual bandit with knapsacks (CBwK) problem, where each action, taken upon a context, not only leads to a random reward but also costs a random resource consumption in a vector form. The challenge is to maximize the total reward without violating the budget for each resource. We study this problem under a general realizability setting where the expected reward and expected cost are functions of contexts and actions in some given general function classes $\mathcal{F}$ and $\mathcal{G}$, respectively. Existing works on CBwK are restricted to the linear function class since they use UCB-type algorithms, which heavily rely on the linear form and thus are difficult to extend to general function classes. Motivated by online regression oracles that have been successfully applied to contextual bandits, we propose the first universal and optimal algorithmic framework for CBwK by reducing it to online regression. We also establish the lower regret bound to show the optimality of our algorithm for a variety of function classes.

In collider-based particle and nuclear physics experiments, data are produced at such extreme rates that only a subset can be recorded for later analysis. Typically, algorithms select individual collision events for preservation and store the complete experimental response. A relatively new alternative strategy is to additionally save a partial record for a larger subset of events, allowing for later specific analysis of a larger fraction of events. We propose a strategy that bridges these paradigms by compressing entire events for generic offline analysis but at a lower fidelity. An optimal-transport-based $\beta$ Variational Autoencoder (VAE) is used to automate the compression and the hyperparameter $\beta$ controls the compression fidelity. We introduce a new approach for multi-objective learning functions by simultaneously learning a VAE appropriate for all values of $\beta$ through parameterization. We present an example use case, a di-muon resonance search at the Large Hadron Collider (LHC), where we show that simulated data compressed by our $\beta$-VAE has enough fidelity to distinguish distinct signal morphologies.

Graph neural networks (GNNs) are able to leverage the structure of graph data by passing messages along the edges of the graph. While this allows GNNs to learn features depending on the graph structure, for certain graph topologies it leads to inefficient information propagation and a problem known as oversquashing. This has recently been linked with the curvature and spectral gap of the graph. On the other hand, adding edges to the message-passing graph can lead to increasingly similar node representations and a problem known as oversmoothing. We propose a computationally efficient algorithm that prevents oversquashing by systematically adding edges to the graph based on spectral expansion. We combine this with a relational architecture, which lets the GNN preserve the original graph structure and provably prevents oversmoothing. We find experimentally that our algorithm outperforms existing graph rewiring methods in several graph classification tasks.

Efficient Transformers have been developed for long sequence modeling, due to their subquadratic memory and time complexity. Sparse Transformer is a popular approach to improving the efficiency of Transformers by restricting self-attention to locations specified by the predefined sparse patterns. However, leveraging sparsity may sacrifice expressiveness compared to full-attention, when important token correlations are multiple hops away. To combine advantages of both the efficiency of sparse transformer and the expressiveness of full-attention Transformer, we propose \textit{Diffuser}, a new state-of-the-art efficient Transformer. Diffuser incorporates all token interactions within one attention layer while maintaining low computation and memory costs. The key idea is to expand the receptive field of sparse attention using Attention Diffusion, which computes multi-hop token correlations based on all paths between corresponding disconnected tokens, besides attention among neighboring tokens. Theoretically, we show the expressiveness of Diffuser as a universal sequence approximator for sequence-to-sequence modeling, and investigate its ability to approximate full-attention by analyzing the graph expander property from the spectral perspective. Experimentally, we investigate the effectiveness of Diffuser with extensive evaluations, including language modeling, image modeling, and Long Range Arena (LRA). Evaluation results show that Diffuser achieves improvements by an average of 0.94% on text classification tasks and 2.30% on LRA, with 1.67$\times$ memory savings compared to state-of-the-art benchmarks, which demonstrates superior performance of Diffuser in both expressiveness and efficiency aspects.

In this paper, we propose Barrier Hamiltonian Monte Carlo (BHMC), a version of HMC which aims at sampling from a Gibbs distribution $\pi$ on a manifold $\mathsf{M}$, endowed with a Hessian metric $\mathfrak{g}$ derived from a self-concordant barrier. Like Riemannian Manifold HMC, our method relies on Hamiltonian dynamics which comprise $\mathfrak{g}$. It incorporates the constraints defining $\mathsf{M}$ and is therefore able to exploit its underlying geometry. We first introduce c-BHMC (continuous BHMC), for which we assume that the Hamiltonian dynamics can be integrated exactly, and show that it generates a Markov chain for which $\pi$ is invariant. Secondly, we design n-BHMC (numerical BHMC), a Metropolis-Hastings algorithm which combines an acceptance filter including a "reverse integration check" and numerical integrators of the Hamiltonian dynamics. Our main results establish that n-BHMC generates a reversible Markov chain with respect to $\pi$. This is in contrast to existing algorithms which extend the HMC method to Riemannian manifolds, as they do not deal with asymptotic bias. Our conclusions are supported by numerical experiments where we consider target distributions defined on polytopes.

Detecting probable Drug Target Interaction (DTI) is a critical task in drug discovery. Conventional DTI studies are expensive, labor-intensive, and take a lot of time, hence there are significant reasons to construct useful computational techniques that may successfully anticipate possible DTIs. Although certain methods have been developed for this cause, numerous interactions are yet to be discovered, and prediction accuracy is still low. To meet these challenges, we propose a DTI prediction model built on molecular structure of drugs and sequence of target proteins. In the proposed model, we use Simplified Molecular Input Line Entry System (SMILES) to create CDK descriptors, Molecular ACCess System (MACCS) fingerprints, Electrotopological state (Estate) fingerprints and amino acid sequences of targets to get Pseudo Amino Acid Composition (PseAAC). We target to evaluate performance of DTI prediction models using CDK descriptors. For comparison, we use benchmark data and evaluate models performance on two widely used fingerprints, MACCS fingerprints and Estate fingerprints. The evaluation of performances shows that CDK descriptors are superior at predicting DTIs. The proposed method also outperforms other previously published techniques significantly.

In defense-related remote sensing applications, such as vehicle detection on satellite imagery, supervised learning requires a huge number of labeled examples to reach operational performances. Such data are challenging to obtain as it requires military experts, and some observables are intrinsically rare. This limited labeling capability, as well as the large number of unlabeled images available due to the growing number of sensors, make object detection on remote sensing imagery highly relevant for self-supervised learning. We study in-domain self-supervised representation learning for object detection on very high resolution optical satellite imagery, that is yet poorly explored. For the first time to our knowledge, we study the problem of label efficiency on this task. We use the large land use classification dataset Functional Map of the World to pretrain representations with an extension of the Momentum Contrast framework. We then investigate this model's transferability on a real-world task of fine-grained vehicle detection and classification on Preligens proprietary data, which is designed to be representative of an operational use case of strategic site surveillance. We show that our in-domain self-supervised learning model is competitive with ImageNet pretraining, and outperforms it in the low-label regime.

Accurate co-estimations of battery states, such as state-of-charge (SOC), state-of-health (SOH,) and remaining useful life (RUL), are crucial to the battery management systems to assure safe and reliable management. Although the external properties of the battery charge with the aging degree, batteries' degradation mechanism shares similar evolving patterns. Since batteries are complicated chemical systems, these states are highly coupled with intricate electrochemical processes. A state-coupled co-estimation method named Deep Inter and Intra-Cycle Attention Network (DIICAN) is proposed in this paper to estimate SOC, SOH, and RUL, which organizes battery measurement data into the intra-cycle and inter-cycle time scales. And to extract degradation-related features automatically and adapt to practical working conditions, the convolutional neural network is applied. The state degradation attention unit is utilized to extract the battery state evolution pattern and evaluate the battery degradation degree. To account for the influence of battery aging on the SOC estimation, the battery degradation-related state is incorporated in the SOC estimation for capacity calibration. The DIICAN method is validated on the Oxford battery dataset. The experimental results show that the proposed method can achieve SOH and RUL co-estimation with high accuracy and effectively improve SOC estimation accuracy for the whole lifespan.

This article explores the extension of well-known $\mathrm{F}_1$ score used for assessing the performance of binary classifiers. We propose the new metric using probabilistic interpretation of precision, recall, specificity, and negative predictive value. We describe its properties and compare it to common metrics. Then we demonstrate its behavior in edge cases of the confusion matrix. Finally, the properties of the metric are tested on binary classifier trained on the real dataset.

Modern neural networks are often quite wide, causing large memory and computation costs. It is thus of great interest to train a narrower network. However, training narrow neural nets remains a challenging task. We ask two theoretical questions: Can narrow networks have as strong expressivity as wide ones? If so, does the loss function exhibit a benign optimization landscape? In this work, we provide partially affirmative answers to both questions for 1-hidden-layer networks with fewer than $n$ (sample size) neurons when the activation is smooth. First, we prove that as long as the width $m \geq 2n/d$ (where $d$ is the input dimension), its expressivity is strong, i.e., there exists at least one global minimizer with zero training loss. Second, we identify a nice local region with no local-min or saddle points. Nevertheless, it is not clear whether gradient descent can stay in this nice region. Third, we consider a constrained optimization formulation where the feasible region is the nice local region, and prove that every KKT point is a nearly global minimizer. It is expected that projected gradient methods converge to KKT points under mild technical conditions, but we leave the rigorous convergence analysis to future work. Thorough numerical results show that projected gradient methods on this constrained formulation significantly outperform SGD for training narrow neural nets.

In this paper, we provide two novel regression-based integrations of combined regression strategy (COBRA) ensemble using Integrated Brier Score to predict conditional survival function. Our proposition includes a weighted version of all predictions based on Integrated Brier Score score made by all weak learners to predict the final survival function apart from the straight implementation. Two different norms (Frobenius and Sup norm) used to figure out the proximity points in the algorithm. Our implementations consider right-censored data too. We illustrate the proposed algorithms through few real-life data analysis.

Bridging geometry and topology, curvature is a powerful and expressive invariant. While the utility of curvature has been theoretically and empirically confirmed in the context of manifolds and graphs, its generalization to the emerging domain of hypergraphs has remained largely unexplored. On graphs, Ollivier-Ricci curvature measures differences between random walks via Wasserstein distances, thus grounding a geometric concept in ideas from probability and optimal transport. We develop ORCHID, a flexible framework generalizing Ollivier-Ricci curvature to hypergraphs, and prove that the resulting curvatures have favorable theoretical properties. Through extensive experiments on synthetic and real-world hypergraphs from different domains, we demonstrate that ORCHID curvatures are both scalable and useful to perform a variety of hypergraph tasks in practice.

Non-autoregressive approaches aim to improve the inference speed of translation models by only requiring a single forward pass to generate the output sequence instead of iteratively producing each predicted token. Consequently, their translation quality still tends to be inferior to their autoregressive counterparts due to several issues involving output token interdependence. In this work, we take a step back and revisit several techniques that have been proposed for improving non-autoregressive translation models and compare their combined translation quality and speed implications under third-party testing environments. We provide novel insights for establishing strong baselines using length prediction or CTC-based architecture variants and contribute standardized BLEU, chrF++, and TER scores using sacreBLEU on four translation tasks, which crucially have been missing as inconsistencies in the use of tokenized BLEU lead to deviations of up to 1.7 BLEU points. Our open-sourced code is integrated into fairseq for reproducibility.

A limiting factor for readout fidelity for superconducting qubits is the relaxation of the qubit to the ground state before the time needed for the resonator to reach its final target state. A technique known as excited state promoted (ESP) readout was proposed to reduce this effect and further improve the readout contrast on superconducting hardware. In this work, we use readout data from IBM's five-qubit quantum systems to measure the effectiveness of using deep neural networks, like feedforward neural networks, and various classification algorithms, like k-nearest neighbors, decision trees, and Gaussian naive Bayes, for single-qubit and multi-qubit discrimination. These methods were compared to standardly used linear and quadratic discriminant analysis algorithms based on their qubit-state-assignment fidelity performance, robustness to readout crosstalk, and training time.

The purpose of multi-task reinforcement learning (MTRL) is to train a single policy that can be applied to a set of different tasks. Sharing parameters allows us to take advantage of the similarities among tasks. However, the gaps between contents and difficulties of different tasks bring us challenges on both which tasks should share the parameters and what parameters should be shared, as well as the optimization challenges due to parameter sharing. In this work, we introduce a parameter-compositional approach (PaCo) as an attempt to address these challenges. In this framework, a policy subspace represented by a set of parameters is learned. Policies for all the single tasks lie in this subspace and can be composed by interpolating with the learned set. It allows not only flexible parameter sharing but also a natural way to improve training. We demonstrate the state-of-the-art performance on Meta-World benchmarks, verifying the effectiveness of the proposed approach.

Graph neural networks (GNNs) find applications in various domains such as computational biology, natural language processing, and computer security. Owing to their popularity, there is an increasing need to explain GNN predictions since GNNs are black-box machine learning models. One way to address this is counterfactual reasoning where the objective is to change the GNN prediction by minimal changes in the input graph. Existing methods for counterfactual explanation of GNNs are limited to instance-specific local reasoning. This approach has two major limitations of not being able to offer global recourse policies and overloading human cognitive ability with too much information. In this work, we study the global explainability of GNNs through global counterfactual reasoning. Specifically, we want to find a small set of representative counterfactual graphs that explains all input graphs. Towards this goal, we propose GCFExplainer, a novel algorithm powered by vertex-reinforced random walks on an edit map of graphs with a greedy summary. Extensive experiments on real graph datasets show that the global explanation from GCFExplainer provides important high-level insights of the model behavior and achieves a 46.9% gain in recourse coverage and a 9.5% reduction in recourse cost compared to the state-of-the-art local counterfactual explainers.

Despite recent advances in automated machine learning, model selection is still a complex and computationally intensive process. For Gaussian processes (GPs), selecting the kernel is a crucial task, often done manually by the expert. Additionally, evaluating the model selection criteria for Gaussian processes typically scales cubically in the sample size, rendering kernel search particularly computationally expensive. We propose a novel, efficient search method through a general, structured kernel space. Previous methods solved this task via Bayesian optimization and relied on measuring the distance between GP's directly in function space to construct a kernel-kernel. We present an alternative approach by defining a kernel-kernel over the symbolic representation of the statistical hypothesis that is associated with a kernel. We empirically show that this leads to a computationally more efficient way of searching through a discrete kernel space.

Recent studies show that training deep neural networks (DNNs) with Lipschitz constraints are able to enhance adversarial robustness and other model properties such as stability. In this paper, we propose a layer-wise orthogonal training method (LOT) to effectively train 1-Lipschitz convolution layers via parametrizing an orthogonal matrix with an unconstrained matrix. We then efficiently compute the inverse square root of a convolution kernel by transforming the input domain to the Fourier frequency domain. On the other hand, as existing works show that semi-supervised training helps improve empirical robustness, we aim to bridge the gap and prove that semi-supervised learning also improves the certified robustness of Lipschitz-bounded models. We conduct comprehensive evaluations for LOT under different settings. We show that LOT significantly outperforms baselines regarding deterministic l2 certified robustness, and scales to deeper neural networks. Under the supervised scenario, we improve the state-of-the-art certified robustness for all architectures (e.g. from 59.04% to 63.50% on CIFAR-10 and from 32.57% to 34.59% on CIFAR-100 at radius rho = 36/255 for 40-layer networks). With semi-supervised learning over unlabelled data, we are able to improve state-of-the-art certified robustness on CIFAR-10 at rho = 108/255 from 36.04% to 42.39%. In addition, LOT consistently outperforms baselines on different model architectures with only 1/3 evaluation time.

We present Amos, a stochastic gradient-based optimizer designed for training deep neural networks. It can be viewed as an Adam optimizer with theoretically supported, adaptive learning-rate decay and weight decay. A key insight behind Amos is that it leverages model-specific information to determine the initial learning-rate and decaying schedules. When used for pre-training BERT variants and T5, Amos consistently converges faster than the state-of-the-art settings of AdamW, achieving better validation loss within <=70% training steps and time, while requiring <=51% memory for slot variables. Our code is open-sourced at: https://github.com/google-research/jestimator

To develop effective and efficient graph similarity learning (GSL) models, a series of data-driven neural algorithms have been proposed in recent years. Although GSL models are frequently deployed in privacy-sensitive scenarios, the user privacy protection of neural GSL models has not drawn much attention. To comprehensively understand the privacy protection issues, we first introduce the concept of attackable representation to systematically characterize the privacy attacks that each model can face. Inspired by the qualitative results, we propose a novel Privacy-Preserving neural Graph Matching network model, named PPGM, for graph similarity learning. To prevent reconstruction attacks, the proposed model does not communicate node-level representations between devices. Instead, we learn multi-perspective graph representations based on learnable context vectors. To alleviate the attacks to graph properties, the obfuscated features that contain information from both graphs are communicated. In this way, the private properties of each graph can be difficult to infer. Based on the node-graph matching techniques while calculating the obfuscated features, PPGM can also be effective in similarity measuring. To quantitatively evaluate the privacy-preserving ability of neural GSL models, we further propose an evaluation protocol via training supervised black-box attack models. Extensive experiments on widely-used benchmarks show the effectiveness and strong privacy-protection ability of the proposed model PPGM. The code is available at: https://github.com/RUCAIBox/PPGM.

Language identification (LID) is a crucial precursor for NLP, especially for mining web data. Problematically, most of the world's $7000$+ languages today are not covered by LID technologies. We address this pressing issue for Africa by introducing~\ourLID, a neural LID toolkit for $517$ African languages and varieties.~\ourLID~exploits a multi-domain web dataset manually curated from across $14$ language families utilizing five orthographic systems. When evaluated on our blind Test set,~\ourLID~achieves $95.89$ $F_1$-score. We also compare~\ourLID~to five existing LID tools that each cover a small number of African languages, finding it to outperform them on most languages. We further show the utility of~\ourLID~in the wild by testing it on the acutely under-served Twitter domain. Finally, we offer a number of controlled case studies and perform a linguistically-motivated error analysis that allow us to both showcase~\ourLID's powerful capabilities and limitations.

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in the structure of the graph Laplacian operator, the properties of the associated diffusion equation, and the characteristics of the convolutional models that discretise this equation. In this paper, we use cellular sheaf theory to show that the underlying geometry of the graph is deeply linked with the performance of GNNs in heterophilic settings and their oversmoothing behaviour. By considering a hierarchy of increasingly general sheaves, we study how the ability of the sheaf diffusion process to achieve linear separation of the classes in the infinite time limit expands. At the same time, we prove that when the sheaf is non-trivial, discretised parametric diffusion processes have greater control than GNNs over their asymptotic behaviour. On the practical side, we study how sheaves can be learned from data. The resulting sheaf diffusion models have many desirable properties that address the limitations of classical graph diffusion equations (and corresponding GNN models) and obtain competitive results in heterophilic settings. Overall, our work provides new connections between GNNs and algebraic topology and would be of interest to both fields.

Solving inverse problems is a fundamental component of science, engineering and mathematics. With the advent of deep learning, deep neural networks have significant potential to outperform existing state-of-the-art, model-based methods for solving inverse problems. However, it is known that current data-driven approaches face several key issues, notably hallucinations, instabilities and unpredictable generalization, with potential impact in critical tasks such as medical imaging. This raises the key question of whether or not one can construct deep neural networks for inverse problems with explicit stability and accuracy guarantees. In this work, we present a novel construction of accurate, stable and efficient neural networks for inverse problems with general analysis-sparse models, termed NESTANets. To construct the network, we first unroll NESTA, an accelerated first-order method for convex optimization. The slow convergence of this method leads to deep networks with low efficiency. Therefore, to obtain shallow, and consequently more efficient, networks we combine NESTA with a novel restart scheme. We then use compressed sensing techniques to demonstrate accuracy and stability. We showcase this approach in the case of Fourier imaging, and verify its stability and performance via a series of numerical experiments. The key impact of this work is demonstrating the construction of efficient neural networks based on unrolling with guaranteed stability and accuracy.

This paper studies a conceptually simple extension of Masked Autoencoders (MAE) to spatiotemporal representation learning from videos. We randomly mask out spacetime patches in videos and learn an autoencoder to reconstruct them in pixels. Interestingly, we show that our MAE method can learn strong representations with almost no inductive bias on spacetime (only except for patch and positional embeddings), and spacetime-agnostic random masking performs the best. We observe that the optimal masking ratio is as high as 90% (vs. 75% on images), supporting the hypothesis that this ratio is related to information redundancy of the data. A high masking ratio leads to a large speedup, e.g., > 4x in wall-clock time or even more. We report competitive results on several challenging video datasets using vanilla Vision Transformers. We observe that MAE can outperform supervised pre-training by large margins. We further report encouraging results of training on real-world, uncurated Instagram data. Our study suggests that the general framework of masked autoencoding (BERT, MAE, etc.) can be a unified methodology for representation learning with minimal domain knowledge.

Relation extraction (RE) models have been challenged by their reliance on training data with expensive annotations. Considering that summarization tasks aim at acquiring concise expressions of synoptical information from the longer context, these tasks naturally align with the objective of RE, i.e., extracting a kind of synoptical information that describes the relation of entity mentions. We present SuRE, which converts RE into a summarization formulation. SuRE leads to more precise and resource-efficient RE based on indirect supervision from summarization tasks. To achieve this goal, we develop sentence and relation conversion techniques that essentially bridge the formulation of summarization and RE tasks. We also incorporate constraint decoding techniques with Trie scoring to further enhance summarization-based RE with robust inference. Experiments on three RE datasets demonstrate the effectiveness of SuRE in both full-dataset and low-resource settings, showing that summarization is a promising source of indirect supervision to improve RE models.

The past years have seen a considerable increase in cancer cases. However, a cancer diagnosis is often complex and depends on the types of images provided for analysis. It requires highly skilled practitioners but is often time-consuming and error-prone. If Machine Learning and deep learning algorithms have been widely used, a comprehensive review of the techniques used from the pre-processing steps to the final prediction is lacking. With this review, we aim to provide a comprehensive overview of the current steps required in building efficient and accurate machine learning algorithm for cancer prediction, detection and classification. To do so, we compile the results of cancer related study using AI over the past years. We include various cancers that encompass different types of images, and therefore different related techniques. We show that tremendous improvements have been made in the early detection of cancerous tumors and tissues. The techniques used are various and often problem-tailored and our findings is confirmed through the study of a large number of research. Moreover, we investigate the approaches best suited for different types of images such as histology, dermoscopic, MRI, etc. With this work, we summarize the main finding over the past years in cancer detection using deep learning techniques. We discuss the challenges of cancer research related to the large discrepancies in the images, and we provide some notable results in the field for lung, breast, and skin cancers.

We prove a new generalization bound that shows for any class of linear predictors in Gaussian space, the Rademacher complexity of the class and the training error under any continuous loss $\ell$ can control the test error under all Moreau envelopes of the loss $\ell$. We use our finite-sample bound to directly recover the "optimistic rate" of Zhou et al. (2021) for linear regression with the square loss, which is known to be tight for minimal $\ell_2$-norm interpolation, but we also handle more general settings where the label is generated by a potentially misspecified multi-index model. The same argument can analyze noisy interpolation of max-margin classifiers through the squared hinge loss, and establishes consistency results in spiked-covariance settings. More generally, when the loss is only assumed to be Lipschitz, our bound effectively improves Talagrand's well-known contraction lemma by a factor of two, and we prove uniform convergence of interpolators (Koehler et al. 2021) for all smooth, non-negative losses. Finally, we show that application of our generalization bound using localized Gaussian width will generally be sharp for empirical risk minimizers, establishing a non-asymptotic Moreau envelope theory for generalization that applies outside of proportional scaling regimes, handles model misspecification, and complements existing asymptotic Moreau envelope theories for M-estimation.

Hawkes processes are point process models that have been used to capture self-excitatory behavior in social interactions, neural activity, earthquakes and viral epidemics. They can model the occurrence of the times and locations of events. Here we develop a new class of spatiotemporal Hawkes processes that can capture both triggering and clustering behavior and we provide an efficient method for performing inference. We use a log-Gaussian Cox process (LGCP) as prior for the background rate of the Hawkes process which gives arbitrary flexibility to capture a wide range of underlying background effects (for infectious diseases these are called endemic effects). The Hawkes process and LGCP are computationally expensive due to the former having a likelihood with quadratic complexity in the number of observations and the latter involving inversion of the precision matrix which is cubic in observations. Here we propose a novel approach to perform MCMC sampling for our Hawkes process with LGCP background, using pre-trained Gaussian Process generators which provide direct and cheap access to samples during inference. We show the efficacy and flexibility of our approach in experiments on simulated data and use our methods to uncover the trends in a dataset of reported crimes in the US.

Graphical models and factor analysis are well-established tools in multivariate statistics. While these models can be both linked to structures exhibited by covariance and precision matrices, they are generally not jointly leveraged within graph learning processes. This paper therefore addresses this issue by proposing a flexible algorithmic framework for graph learning under low-rank structural constraints on the covariance matrix. The problem is expressed as penalized maximum likelihood estimation of an elliptical distribution (a generalization of Gaussian graphical models to possibly heavy-tailed distributions), where the covariance matrix is optionally constrained to be structured as low-rank plus diagonal (low-rank factor model). The resolution of this class of problems is then tackled with Riemannian optimization, where we leverage geometries of positive definite matrices and positive semi-definite matrices of fixed rank that are well suited to elliptical models. Numerical experiments on real-world data sets illustrate the effectiveness of the proposed approach.

Checkpoint averaging is a simple and effective method to boost the performance of converged neural machine translation models. The calculation is cheap to perform and the fact that the translation improvement almost comes for free, makes it widely adopted in neural machine translation research. Despite the popularity, the method itself simply takes the mean of the model parameters from several checkpoints, the selection of which is mostly based on empirical recipes without many justifications. In this work, we revisit the concept of checkpoint averaging and consider several extensions. Specifically, we experiment with ideas such as using different checkpoint selection strategies, calculating weighted average instead of simple mean, making use of gradient information and fine-tuning the interpolation weights on development data. Our results confirm the necessity of applying checkpoint averaging for optimal performance, but also suggest that the landscape between the converged checkpoints is rather flat and not much further improvement compared to simple averaging is to be obtained.

Semantic communication (SC) aims to communicate reliably with minimal data transfer while simultaneously providing seamless connectivity to heterogeneous services and users. In this paper, a novel emergent SC (ESC) system framework is proposed and is composed of a signaling game for emergent language design and a neuro-symbolic (NeSy) artificial intelligence (AI) approach for causal reasoning. In order to design the language, the signaling game is solved using an alternating maximization between the communicating node's utilities. The emergent language helps create a context-aware transmit vocabulary (minimal semantic representation) and aids the reasoning process (enabling generalization to unseen scenarios) by splitting complex messages into simpler reasoning tasks for the receiver. The causal description at the transmitter is then modeled (a neural component) as a posterior distribution of the relevant attributes present in the data. Using the reconstructed causal state, the receiver evaluates a set of logical formulas (symbolic part) to execute its task. The nodes NeSy reasoning components are implemented by the recently proposed AI tool called Generative Flow Networks, and they are optimized for higher semantic reliability. The ESC system is designed to enhance the novel metrics of semantic information, reliability, distortion and similarity that are designed using rigorous algebraic properties from category theory thereby generalizing the metrics beyond Shannon's notion of uncertainty. Simulation results validate the ability of ESC to communicate efficiently (with reduced bits) and achieve better semantic reliability than conventional wireless and state-of-the-art systems that do not exploit causal reasoning capabilities.

Diagnostic and prognostic models are increasingly important in medicine and inform many clinical decisions. Recently, machine learning approaches have shown improvement over conventional modeling techniques by better capturing complex interactions between patient covariates in a data-driven manner. However, the use of machine learning introduces a number of technical and practical challenges that have thus far restricted widespread adoption of such techniques in clinical settings. To address these challenges and empower healthcare professionals, we present a machine learning framework, AutoPrognosis 2.0, to develop diagnostic and prognostic models. AutoPrognosis leverages state-of-the-art advances in automated machine learning to develop optimized machine learning pipelines, incorporates model explainability tools, and enables deployment of clinical demonstrators, without requiring significant technical expertise. Our framework eliminates the major technical obstacles to predictive modeling with machine learning that currently impede clinical adoption. To demonstrate AutoPrognosis 2.0, we provide an illustrative application where we construct a prognostic risk score for diabetes using the UK Biobank, a prospective study of 502,467 individuals. The models produced by our automated framework achieve greater discrimination for diabetes than expert clinical risk scores. Our risk score has been implemented as a web-based decision support tool and can be publicly accessed by patients and clinicians worldwide. In addition, AutoPrognosis 2.0 is provided as an open-source python package. By open-sourcing our framework as a tool for the community, clinicians and other medical practitioners will be able to readily develop new risk scores, personalized diagnostics, and prognostics using modern machine learning techniques.

In recent years, Graph Neural Networks have reported outstanding performance in tasks like community detection, molecule classification and link prediction. However, the black-box nature of these models prevents their application in domains like health and finance, where understanding the models' decisions is essential. Counterfactual Explanations (CE) provide these understandings through examples. Moreover, the literature on CE is flourishing with novel explanation methods which are tailored to graph learning. In this survey, we analyse the existing Graph Counterfactual Explanation methods, by providing the reader with an organisation of the literature according to a uniform formal notation for definitions, datasets, and metrics, thus, simplifying potential comparisons w.r.t to the method advantages and disadvantages. We discussed seven methods and sixteen synthetic and real datasets providing details on the possible generation strategies. We highlight the most common evaluation strategies and formalise nine of the metrics used in the literature. We first introduce the evaluation framework GRETEL and how it is possible to extend and use it while providing a further dimension of comparison encompassing reproducibility aspects. Finally, we provide a discussion on how counterfactual explanation interplays with privacy and fairness, before delving into open challenges and future works.

Wasserstein dictionary learning is an unsupervised approach to learning a collection of probability distributions that generate observed distributions as Wasserstein barycentric combinations. Existing methods for Wasserstein dictionary learning optimize an objective that seeks a dictionary with sufficient representation capacity via barycentric interpolation to approximate the observed training data, but without imposing additional structural properties on the coefficients associated to the dictionary. This leads to dictionaries that densely represent the observed data, which makes interpretation of the coefficients challenging and may also lead to poor empirical performance when using the learned coefficients in downstream tasks. In contrast and motivated by sparse dictionary learning in Euclidean spaces, we propose a geometrically sparse regularizer for Wasserstein space that promotes representations of a data point using only nearby dictionary elements. We show this approach leads to sparse representations in Wasserstein space and addresses the problem of non-uniqueness of barycentric representation. Moreover, when data is generated as Wasserstein barycenters of fixed distributions, this regularizer facilitates the recovery of the generating distributions in cases that are ill-posed for unregularized Wasserstein dictionary learning. Through experimentation on synthetic and real data, we show that our geometrically regularized approach yields sparser and more interpretable dictionaries in Wasserstein space, which perform better in downstream applications.

We present a novel approach to path planning for robotic manipulators, in which paths are produced via iterative optimisation in the latent space of a generative model of robot poses. Constraints are incorporated through the use of constraint satisfaction classifiers operating on the same space. Optimisation leverages gradients through our learned models that provide a simple way to combine goal reaching objectives with constraint satisfaction, even in the presence of otherwise non-differentiable constraints. Our models are trained in a task-agnostic manner on randomly sampled robot poses. In baseline comparisons against a number of widely used planners, we achieve commensurate performance in terms of task success, planning time and path length, performing successful path planning with obstacle avoidance on a real 7-DoF robot arm.  ( 2 min )

Intermediate-task transfer can benefit a wide range of NLP tasks with properly selected source datasets. However, it is computationally infeasible to experiment with all intermediate transfer combinations, making choosing a useful source task a challenging problem. In this paper, we anticipate that task-specific parameters updated in parameter-efficient tuning methods are likely to encode task-specific information. Therefore, such parameters can be predictive for inter-task transferability. Thus, we propose to exploit these efficiently tuned parameters as off-the-shelf task embeddings for the efficient selection of source datasets for intermediate-task transfer. We experiment with 11 text classification tasks and 11 question answering tasks. Experimental results show that our approach can consistently outperform existing inter-task transferability prediction methods while being conceptually simple and computationally efficient. Our analysis also reveals that the ability of efficiently tuned parameters on transferability prediction is disentangled with their in-task performance. This allows us to use parameters from early checkpoints as task embeddings to further improve efficiency.  ( 2 min )

This paper proposes to perform online clustering by conducting twin contrastive learning (TCL) at the instance and cluster level. Specifically, we find that when the data is projected into a feature space with a dimensionality of the target cluster number, the rows and columns of its feature matrix correspond to the instance and cluster representation, respectively. Based on the observation, for a given dataset, the proposed TCL first constructs positive and negative pairs through data augmentations. Thereafter, in the row and column space of the feature matrix, instance- and cluster-level contrastive learning are respectively conducted by pulling together positive pairs while pushing apart the negatives. To alleviate the influence of intrinsic false-negative pairs and rectify cluster assignments, we adopt a confidence-based criterion to select pseudo-labels for boosting both the instance- and cluster-level contrastive learning. As a result, the clustering performance is further improved. Besides the elegant idea of twin contrastive learning, another advantage of TCL is that it could independently predict the cluster assignment for each instance, thus effortlessly fitting online scenarios. Extensive experiments on six widely-used image and text benchmarks demonstrate the effectiveness of TCL. The code will be released on GitHub.  ( 2 min )

Accurate decomposition of the mixed Mn oxidation states is highly important for characterizing the electronic structures, charge transfer, and redox centers for electronic, electrocatalytic, and energy storage materials that contain Mn. Electron energy loss spectroscopy (EELS) and soft X-ray absorption spectroscopy (XAS) measurements of the Mn L2,3 edges are widely used for this purpose. To date, although the measurement of the Mn L2,3 edges is straightforward given the sample is prepared properly, an accurate decomposition of the mix valence states of Mn remains non-trivial. For both EELS and XAS, 2+, 3+, 4+ reference spectra need to be taken on the same instrument/beamline and preferably in the same experimental session because the instrumental resolution and the energy axis offset could vary from one session to another. To circumvent this hurdle, in this study, we adopted a deep learning approach and developed a calibration-free and reference-free method to decompose the oxidation state of Mn L2,3 edges for both EELS and XAS. To synthesize physics-informed and ground-truth labeled training datasets, we created a forward model that takes into account plural scattering, instrumentation broadening, noise, and energy axis offset. With that, we created a 1.2 million-spectrum database with a three-element oxidation state composition label. The library includes a sufficient variety of data including both EELS and XAS spectra. By training on this large database, our convolutional neural network achieves 85% accuracy on the validation dataset. We tested the model and found it is robust against noise (down to PSNR of 10) and plural scattering (up to t/{\lambda} = 1). We further validated the model against spectral data that were not used in training.  ( 3 min )

We study regret minimization for reinforcement learning (RL) in Latent Markov Decision Processes (LMDPs) with context in hindsight. We design a novel model-based algorithmic framework which can be instantiated with both a model-optimistic and a value-optimistic solver. We prove an $\widetilde{O}\left(\sqrt{M \Gamma S A K}\right)$ regret bound where $M$ is the number of contexts, $S$ is the number of states, $A$ is the number of actions, $K$ is the number of episodes, and $\Gamma \le S$ is the maximum transition degree of any state-action pair. The regret bound only scales logarithmically with the planning horizon, thus yielding the first (nearly) horizon-free regret bound for LMDP. Key in our proof is an analysis of the total variance of alpha vectors, which is carefully bounded by a recursion-based technique. We complement our positive result with a novel $\Omega\left(\sqrt{M S A K}\right)$ regret lower bound with $\Gamma = 2$, which shows our upper bound minimax optimal when $\Gamma$ is a constant. Our lower bound relies on new constructions of hard instances and an argument based on the symmetrization technique from theoretical computer science, both of which are technically different from existing lower bound proof for MDPs, and thus can be of independent interest.  ( 2 min )

This paper introduces a solution to the problem of selecting dynamically (online) the ``optimal'' p-norm to combat outliers in linear adaptive filtering without any knowledge on the probability density function of the outliers. The proposed online and data-driven framework is built on kernel-based reinforcement learning (KBRL). To this end, novel Bellman mappings on reproducing kernel Hilbert spaces (RKHSs) are introduced. These mappings do not require any knowledge on transition probabilities of Markov decision processes, and are nonexpansive with respect to the underlying Hilbertian norm. The fixed-point sets of the proposed Bellman mappings are utilized to build an approximate policy-iteration (API) framework for the problem at hand. To address the ``curse of dimensionality'' in RKHSs, random Fourier features are utilized to bound the computational complexity of the API. Numerical tests on synthetic data for several outlier scenarios demonstrate the superior performance of the proposed API framework over several non-RL and KBRL schemes.  ( 2 min )

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior distribution of the parameters in deep neural networks by performing Bayesian inference on the network parameters. The posterior distribution is efficiently sampled using HMC to quantify uncertainties in the system. Several numerical examples are shown for both forward and inverse problems in high dimension to demonstrate the effectiveness of the proposed method for uncertainty quantification. These also show promising results that the computational cost is almost independent of the dimension of the problem demonstrating the potential of the method for tackling the so-called curse of dimensionality.  ( 2 min )

Local optimization presents a promising approach to expensive, high-dimensional black-box optimization by sidestepping the need to globally explore the search space. For objective functions whose gradient cannot be evaluated directly, Bayesian optimization offers one solution -- we construct a probabilistic model of the objective, design a policy to learn about the gradient at the current location, and use the resulting information to navigate the objective landscape. Previous work has realized this scheme by minimizing the variance in the estimate of the gradient, then moving in the direction of the expected gradient. In this paper, we re-examine and refine this approach. We demonstrate that, surprisingly, the expected value of the gradient is not always the direction maximizing the probability of descent, and in fact, these directions may be nearly orthogonal. This observation then inspires an elegant optimization scheme seeking to maximize the probability of descent while moving in the direction of most-probable descent. Experiments on both synthetic and real-world objectives show that our method outperforms previous realizations of this optimization scheme and is competitive against other, significantly more complicated baselines.  ( 2 min )

Math word problem solver requires both precise relation reasoning about quantities in the text and reliable generation for the diverse equation. Current sequence-to-tree or relation extraction methods regard this only from a fixed view, struggling to simultaneously handle complex semantics and diverse equations. However, human solving naturally involves two consistent reasoning views: top-down and bottom-up, just as math equations also can be expressed in multiple equivalent forms: pre-order and post-order. We propose a multi-view consistent contrastive learning for a more complete semantics-to-equation mapping. The entire process is decoupled into two independent but consistent views: top-down decomposition and bottom-up construction, and the two reasoning views are aligned in multi-granularity for consistency, enhancing global generation and precise reasoning. Experiments on multiple datasets across two languages show our approach significantly outperforms the existing baselines, especially on complex problems. We also show after consistent alignment, multi-view can absorb the merits of both views and generate more diverse results consistent with the mathematical laws.  ( 2 min )

In recent years, multilingual machine translation models have achieved promising performance on low-resource language pairs by sharing information between similar languages, thus enabling zero-shot translation. To overcome the "curse of multilinguality", these models often opt for scaling up the number of parameters, which makes their use in resource-constrained environments challenging. We introduce SMaLL-100, a distilled version of the M2M-100 (12B) model, a massively multilingual machine translation model covering 100 languages. We train SMaLL-100 with uniform sampling across all language pairs and therefore focus on preserving the performance of low-resource languages. We evaluate SMaLL-100 on different low-resource benchmarks: FLORES-101, Tatoeba, and TICO-19 and demonstrate that it outperforms previous massively multilingual models of comparable sizes (200-600M) while improving inference latency and memory usage. Additionally, our model achieves comparable results to M2M-100 (1.2B), while being 3.6x smaller and 4.3x faster at inference. Code and pre-trained models: https://github.com/alirezamshi/small100  ( 2 min )

Learning based 6D object pose estimation methods rely on computing large intermediate pose representations and/or iteratively refining an initial estimation with a slow render-compare pipeline. This paper introduces a novel method we call Cascaded Pose Refinement Transformers, or CRT-6D. We replace the commonly used dense intermediate representation with a sparse set of features sampled from the feature pyramid we call OSKFs(Object Surface Keypoint Features) where each element corresponds to an object keypoint. We employ lightweight deformable transformers and chain them together to iteratively refine proposed poses over the sampled OSKFs. We achieve inference runtimes 2x faster than the closest real-time state of the art methods while supporting up to 21 objects on a single model. We demonstrate the effectiveness of CRT-6D by performing extensive experiments on the LM-O and YCBV datasets. Compared to real-time methods, we achieve state of the art on LM-O and YCB-V, falling slightly behind methods with inference runtimes one order of magnitude higher. The source code is available at: https://github.com/PedroCastro/CRT-6D  ( 2 min )

Second-order optimization uses curvature information about the objective function, which can help in faster convergence. However, such methods typically require expensive computation of the Hessian matrix, preventing their usage in a scalable way. The absence of efficient ways of computation drove the most widely used methods to focus on first-order approximations that do not capture the curvature information. In this paper, we develop HesScale, a scalable approach to approximating the diagonal of the Hessian matrix, to incorporate second-order information in a computationally efficient manner. We show that HesScale has the same computational complexity as backpropagation. Our results on supervised classification show that HesScale achieves high approximation accuracy, allowing for scalable and efficient second-order optimization.  ( 2 min )

We find a surprising connection between multitask learning and robustness to neuron failures. Our experiments show that bilingual language models retain higher performance under various neuron perturbations, such as random deletions, magnitude pruning and weight noise compared to equivalent monolingual ones. We provide a theoretical justification for this robustness by mathematically analyzing linear representation learning and showing that multitasking creates more robust representations. Our analysis connects robustness to spectral properties of the learned representation and proves that multitasking leads to higher robustness for diverse task vectors. We open-source our code and models: https://github.com/giannisdaras/multilingual_robustness  ( 2 min )

Across many domains, real-world problems can be represented as a network. Nodes represent domain-specific elements and edges capture the relationship between elements. Leveraging high-performance computing and optimized link prediction algorithms, it is increasingly possible to evaluate every possible combination of nodal pairs enabling the generation of a comprehensive prediction matrix (CPM) that places an individual link prediction score in the context of all possible links involving either node (providing data-driven context). Historically, this contextual information has been ignored given exponentially growing problem sizes resulting in computational intractability; however, we demonstrate that expending high-performance compute resources to generate CPMs is a worthwhile investment given the improvement in predictive performance. In this work, we generalize for all pairwise link-prediction tasks our novel semi-supervised machine learning method, denoted Reciprocal Perspective (RP). We demonstrate that RP significantly improves link prediction accuracy by leveraging the wealth of information in a CPM. Context-based features are extracted from the CPM for use in a stacked classifier and we demonstrate that the application of RP in a cascade almost always results in significantly (p < 0.05) improved predictions. These results on RS-type problems suggest that RP is applicable to a broad range of link prediction problems.

Most existing fuzzy computing methods use points as input, which is the finest granularity from the perspective of granular computing. Consequently, these classifiers are neither efficient nor robust to label noise. Therefore, we propose a framework for a fuzzy granular-ball computational classifier by introducing granular-ball computing into fuzzy set. The computational framework is based on the granular-balls input rather than points; therefore, it is more efficient and robust than traditional fuzzy methods. Furthermore, the framework is extended to the fuzzy support vector machine (FSVM), and granular ball fuzzy SVM (GBFSVM) is derived. The experimental results demonstrate the effectiveness and efficiency of GBFSVM.  ( 2 min )

Recent work has shown that language models (LMs) trained with multi-task \textit{instructional learning} (MTIL) can solve diverse NLP tasks in zero- and few-shot settings with improved performance compared to prompt tuning. MTIL illustrates that LMs can extract and use information about the task from instructions beyond the surface patterns of the inputs and outputs. This suggests that meta-learning may further enhance the utilization of instructions for effective task transfer. In this paper we investigate whether meta-learning applied to MTIL can further improve generalization to unseen tasks in a zero-shot setting. Specifically, we propose to adapt meta-learning to MTIL in three directions: 1) Model Agnostic Meta Learning (MAML), 2) Hyper-Network (HNet) based adaptation to generate task specific parameters conditioned on instructions, and 3) an approach combining HNet and MAML. Through extensive experiments on the large scale Natural Instructions V2 dataset, we show that our proposed approaches significantly improve over strong baselines in zero-shot settings. In particular, meta-learning improves the effectiveness of instructions and is most impactful when the test tasks are strictly zero-shot (i.e. no similar tasks in the training set) and are "hard" for LMs, illustrating the potential of meta-learning for MTIL for out-of-distribution tasks.  ( 2 min )

Learning world models from their sensory inputs enables agents to plan for actions by imagining their future outcomes. World models have previously been shown to improve sample-efficiency in simulated environments with few objects, but have not yet been applied successfully to environments with many objects. In environments with many objects, often only a small number of them are moving or interacting at the same time. In this paper, we investigate integrating this inductive bias of sparse interactions into the latent dynamics of world models trained from pixels. First, we introduce Variational Sparse Gating (VSG), a latent dynamics model that updates its feature dimensions sparsely through stochastic binary gates. Moreover, we propose a simplified architecture Simple Variational Sparse Gating (SVSG) that removes the deterministic pathway of previous models, resulting in a fully stochastic transition function that leverages the VSG mechanism. We evaluate the two model architectures in the BringBackShapes (BBS) environment that features a large number of moving objects and partial observability, demonstrating clear improvements over prior models.

In this study we focus on the diagnosis of Parkinson's Disease (PD) based on electroencephalogram (EEG) signals. We propose a new approach inspired by the functioning of the brain that uses the dynamics, frequency and temporal content of EEGs to extract new demarcating features of the disease. The method was evaluated on a publicly available dataset containing EEG signals recorded during a 3-oddball auditory task involving N = 50 subjects, of whom 25 suffer from PD. By extracting two features, and separating them with a straight line using a Linear Discriminant Analysis (LDA) classifier, we can separate the healthy from the unhealthy subjects with an accuracy of 90% (p < 1.8$\times$10-5) using a single channel. By aggregating the information from three channels and making them vote, we obtain an accuracy of 94 %, a sensitivity of 96 % and a specificity of 92 %. The evaluation was carried out using a nested leave-one-out cross-validation procedure, thus preventing data leakage problems and giving a less biased evaluation. Several tests were carried out to assess the validity and robustness of our approach, including the test where we use only half the available data for training. Under this constraint, the model achieves an accuracy of 89.4 %.  ( 2 min )

This paper studies the impact of the initial data gathering method on the subsequent learning of a dynamics model. Dynamics models approximate the true transition function of a given task, in order to perform policy search directly on the model rather than on the costly real system. This study aims to determine how to bootstrap a model as efficiently as possible, by comparing initialization methods employed in two different policy search frameworks in the literature. The study focuses on the model performance under the episode-based framework of Evolutionary methods using probabilistic ensembles. Experimental results show that various task-dependant factors can be detrimental to each method, suggesting to explore hybrid approaches.

Simulation-based Bayesian inference (SBI) can be used to estimate the parameters of complex mechanistic models given observed model outputs without requiring access to explicit likelihood evaluations. A prime example for the application of SBI in neuroscience involves estimating the parameters governing the response dynamics of Hodgkin-Huxley (HH) models from electrophysiological measurements, by inferring a posterior over the parameters that is consistent with a set of observations. To this end, many SBI methods employ a set of summary statistics or scientifically interpretable features to estimate a surrogate likelihood or posterior. However, currently, there is no way to identify how much each summary statistic or feature contributes to reducing posterior uncertainty. To address this challenge, one could simply compare the posteriors with and without a given feature included in the inference process. However, for large or nested feature sets, this would necessitate repeatedly estimating the posterior, which is computationally expensive or even prohibitive. Here, we provide a more efficient approach based on the SBI method neural likelihood estimation (NLE): We show that one can marginalize the trained surrogate likelihood post-hoc before inferring the posterior to assess the contribution of a feature. We demonstrate the usefulness of our method by identifying the most important features for inferring parameters of an example HH neuron model. Beyond neuroscience, our method is generally applicable to SBI workflows that rely on data features for inference used in other scientific fields.

Fitting a polynomial to observed data is an ubiquitous task in many signal processing and machine learning tasks, such as interpolation and prediction. In that context, input and output pairs are available and the goal is to find the coefficients of the polynomial. However, in many applications, the input may be partially known or not known at all, rendering conventional regression approaches not applicable. In this paper, we formally state the (potentially partial) blind regression problem, illustrate some of its theoretical properties, and propose algorithmic approaches to solve it. As a case-study, we apply our methods to a jitter-correction problem and corroborate its performance.

Encoder-decoder architecture is widely adopted for sequence-to-sequence modeling tasks. For machine translation, despite the evolution from long short-term memory networks to Transformer networks, plus the introduction and development of attention mechanism, encoder-decoder is still the de facto neural network architecture for state-of-the-art models. While the motivation for decoding information from some hidden space is straightforward, the strict separation of the encoding and decoding steps into an encoder and a decoder in the model architecture is not necessarily a must. Compared to the task of autoregressive language modeling in the target language, machine translation simply has an additional source sentence as context. Given the fact that neural language models nowadays can already handle rather long contexts in the target language, it is natural to ask whether simply concatenating the source and target sentences and training a language model to do translation would work. In this work, we investigate the aforementioned concept for machine translation. Specifically, we experiment with bilingual translation, translation with additional target monolingual data, and multilingual translation. In all cases, this alternative approach performs on par with the baseline encoder-decoder Transformer, suggesting that an encoder-decoder architecture might be redundant for neural machine translation.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy.  ( 2 min )

The simulation of human neurons and neurotransmission mechanisms has been realized in deep neural networks based on the theoretical implementations of activation functions. However, recent studies have reported that the threshold potential of neurons exhibits different values according to the locations and types of individual neurons, and that the activation functions have limitations in terms of representing this variability. Therefore, this study proposes a simple yet effective activation function that facilitates different thresholds and adaptive activations according to the positions of units and the contexts of inputs. Furthermore, the proposed activation function mathematically exhibits a more generalized form of Swish activation function, and thus we denoted it as Adaptive SwisH (ASH). ASH highlights informative features that exhibit large values in the top percentiles in an input, whereas it rectifies low values. Most importantly, ASH exhibits trainable, adaptive, and context-aware properties compared to other activation functions. Furthermore, ASH represents general formula of the previously studied activation function and provides a reasonable mathematical background for the superior performance. To validate the effectiveness and robustness of ASH, we implemented ASH into many deep learning models for various tasks, including classification, detection, segmentation, and image generation. Experimental analysis demonstrates that our activation function can provide the benefits of more accurate prediction and earlier convergence in many deep learning applications.  ( 2 min )

Action anticipation involves predicting future actions having observed the initial portion of a video. Typically, the observed video is processed as a whole to obtain a video-level representation of the ongoing activity in the video, which is then used for future prediction. We introduce ANTICIPATR which performs long-term action anticipation leveraging segment-level representations learned using individual segments from different activities, in addition to a video-level representation. We propose a two-stage learning approach to train a novel transformer-based model that uses these two types of representations to directly predict a set of future action instances over any given anticipation duration. Results on Breakfast, 50Salads, Epic-Kitchens-55, and EGTEA Gaze+ datasets demonstrate the effectiveness of our approach.  ( 2 min )

Explainable AI (XAI) methods are frequently applied to obtain qualitative insights about deep models' predictions. However, such insights need to be interpreted by a human observer to be useful. In this paper, we aim to use explanations directly to make decisions without human observers. We adopt two gradient-based explanation methods, Integrated Gradients (IG) and backprop, for the task of 3D object detection. Then, we propose a set of quantitative measures, named Explanation Concentration (XC) scores, that can be used for downstream tasks. These scores quantify the concentration of attributions within the boundaries of detected objects. We evaluate the effectiveness of XC scores via the task of distinguishing true positive (TP) and false positive (FP) detected objects in the KITTI and Waymo datasets. The results demonstrate an improvement of more than 100\% on both datasets compared to other heuristics such as random guesses and the number of LiDAR points in the bounding box, raising confidence in XC's potential for application in more use cases. Our results also indicate that computationally expensive XAI methods like IG may not be more valuable when used quantitatively compare to simpler methods.  ( 2 min )

We propose a model-based lifelong reinforcement-learning approach that estimates a hierarchical Bayesian posterior distilling the common structure shared across different tasks. The learned posterior combined with a sample-based Bayesian exploration procedure increases the sample efficiency of learning across a family of related tasks. We first derive an analysis of the relationship between the sample complexity and the initialization quality of the posterior in the finite MDP setting. We next scale the approach to continuous-state domains by introducing a Variational Bayesian Lifelong Reinforcement Learning algorithm that can be combined with recent model-based deep RL methods, and that exhibits backward transfer. Experimental results on several challenging domains show that our algorithms achieve both better forward and backward transfer performance than state-of-the-art lifelong RL methods.  ( 2 min )

In general, traders test their trading strategies by applying them on the historical market data (backtesting), and then apply to the future trades the strategy that achieved the maximum profit on such past data. In this paper, we propose a new trading strategy, called DNN-forwardtesting, that determines the strategy to apply by testing it on the possible future predicted by a deep neural network that has been designed to perform stock price forecasts and trained with the market historical data. In order to generate such an historical dataset, we first perform an exploratory data analysis on a set of ten securities and, in particular, analize their volatility through a novel k-means-based procedure. Then, we restrict the dataset to a small number of assets with the same volatility coefficient and use such data to train a deep feed-forward neural network that forecasts the prices for the next 30 days of open stocks market. Finally, our trading system calculates the most effective technical indicator by applying it to the DNNs predictions and uses such indicator to guide its trades. The results confirm that neural networks outperform classical statistical techniques when performing such forecasts, and their predictions allow to select a trading strategy that, when applied to the real future, increases Expectancy, Sharpe, Sortino, and Calmar ratios with respect to the strategy selected through traditional backtesting.  ( 3 min )

Direct policy search has been widely applied in modern reinforcement learning and continuous control. However, the theoretical properties of direct policy search on nonsmooth robust control synthesis have not been fully understood. The optimal $\mathcal{H}_\infty$ control framework aims at designing a policy to minimize the closed-loop $\mathcal{H}_\infty$ norm, and is arguably the most fundamental robust control paradigm. In this work, we show that direct policy search is guaranteed to find the global solution of the robust $\mathcal{H}_\infty$ state-feedback control design problem. Notice that policy search for optimal $\mathcal{H}_\infty$ control leads to a constrained nonconvex nonsmooth optimization problem, where the nonconvex feasible set consists of all the policies stabilizing the closed-loop dynamics. We show that for this nonsmooth optimization problem, all Clarke stationary points are global minimum. Next, we identify the coerciveness of the closed-loop $\mathcal{H}_\infty$ objective function, and prove that all the sublevel sets of the resultant policy search problem are compact. Based on these properties, we show that Goldstein's subgradient method and its implementable variants can be guaranteed to stay in the nonconvex feasible set and eventually find the global optimal solution of the $\mathcal{H}_\infty$ state-feedback synthesis problem. Our work builds a new connection between nonconvex nonsmooth optimization theory and robust control, leading to an interesting global convergence result for direct policy search on optimal $\mathcal{H}_\infty$ synthesis.  ( 3 min )

There has been great interest in enhancing the robustness of neural network classifiers to defend against adversarial perturbations through adversarial training, while balancing the trade-off between robust accuracy and standard accuracy. We propose a novel adversarial training framework that learns to reweight the loss associated with individual training samples based on a notion of class-conditioned margin, with the goal of improving robust generalization. We formulate weighted adversarial training as a bilevel optimization problem with the upper-level problem corresponding to learning a robust classifier, and the lower-level problem corresponding to learning a parametric function that maps from a sample's \textit{multi-class margin} to an importance weight. Extensive experiments demonstrate that our approach consistently improves both clean and robust accuracy compared to related methods and state-of-the-art baselines.  ( 2 min )

Weed and crop segmentation is becoming an increasingly integral part of precision farming that leverages the current computer vision and deep learning technologies. Research has been extensively carried out based on images captured with a camera from various platforms. Unmanned aerial vehicles (UAVs) and ground-based vehicles including agricultural robots are the two popular platforms for data collection in fields. They all contribute to site-specific weed management (SSWM) to maintain crop yield. Currently, the data from these two platforms is processed separately, though sharing the same semantic objects (weed and crop). In our paper, we have developed a deep convolutional network that enables to predict both field and aerial images from UAVs for weed segmentation and mapping with only field images provided in the training phase. The network learning process is visualized by feature maps at shallow and deep layers. The results show that the mean intersection of union (IOU) values of the segmentation for the crop (maize), weeds, and soil background in the developed model for the field dataset are 0.744, 0.577, 0.979, respectively, and the performance of aerial images from an UAV with the same model, the IOU values of the segmentation for the crop (maize), weeds and soil background are 0.596, 0.407, and 0.875, respectively. To estimate the effect on the use of plant protection agents, we quantify the relationship between herbicide spraying saving rate and grid size (spraying resolution) based on the predicted weed map. The spraying saving rate is up to 90% when the spraying resolution is at 1.78 x 1.78 cm2. The study shows that the developed deep convolutional neural network could be used to classify weeds from both field and aerial images and delivers satisfactory results.  ( 3 min )

In this paper, we address the dichotomy between heterogeneous models and simultaneous training in Federated Learning (FL) via a clustering framework. We define a new clustering model for FL based on the (optimal) local models of the users: two users belong to the same cluster if their local models are close; otherwise they belong to different clusters. A standard algorithm for clustered FL is proposed in \cite{ghosh_efficient_2021}, called \texttt{IFCA}, which requires \emph{suitable} initialization and the knowledge of hyper-parameters like the number of clusters (which is often quite difficult to obtain in practical applications) to converge. We propose an improved algorithm, \emph{Successive Refine Federated Clustering Algorithm} (\texttt{SR-FCA}), which removes such restrictive assumptions. \texttt{SR-FCA} treats each user as a singleton cluster as an initialization, and then successively refine the cluster estimation via exploiting similar users belonging to the same cluster. In any intermediate step, \texttt{SR-FCA} uses a robust federated learning algorithm within each cluster to exploit simultaneous training and to correct clustering errors. Furthermore, \texttt{SR-FCA} does not require any \emph{good} initialization (warm start), both in theory and practice. We show that with proper choice of learning rate, \texttt{SR-FCA} incurs arbitrarily small clustering error. Additionally, we validate the performance of our algorithm on standard FL datasets in non-convex problems like neural nets, and we show the benefits of \texttt{SR-FCA} over baselines.  ( 2 min )

Deep neural networks are powerful tools to model observations over time with non-linear patterns. Despite the widespread use of neural networks in such settings, most theoretical developments of deep neural networks are under the assumption of independent observations, and theoretical results for temporally dependent observations are scarce. To bridge this gap, we study theoretical properties of deep neural networks on modeling non-linear time series data. Specifically, non-asymptotic bounds for prediction error of (sparse) feed-forward neural network with ReLU activation function is established under mixing-type assumptions. These assumptions are mild such that they include a wide range of time series models including auto-regressive models. Compared to independent observations, established convergence rates have additional logarithmic factors to compensate for additional complexity due to dependence among data points. The theoretical results are supported via various numerical simulation settings as well as an application to a macroeconomic data set.  ( 2 min )

Demand forecasting applications have immensely benefited from the state-of-the-art Deep Learning methods used for time series forecasting. Traditional uni-modal models are predominantly seasonality driven which attempt to model the demand as a function of historic sales along with information on holidays and promotional events. However, accurate and robust sales forecasting calls for accommodating multiple other factors, such as natural calamities, pandemics, elections, etc., impacting the demand for products and product categories in general. We propose a multi-modal sales forecasting network that combines real-life events from news articles with traditional data such as historical sales and holiday information. Further, we fuse information from general product trends published by Google trends. Empirical results show statistically significant improvements in the SMAPE error metric with an average improvement of 7.37% against the existing state-of-the-art sales forecasting techniques on a real-world supermarket dataset.  ( 2 min )

Machine learning systems are often applied to data that is drawn from a different distribution than the training distribution. Recent work has shown that for a variety of classification and signal reconstruction problems, the out-of-distribution performance is strongly linearly correlated with the in-distribution performance. If this relationship or more generally a monotonic one holds, it has important consequences. For example, it allows to optimize performance on one distribution as a proxy for performance on the other. In this paper, we study conditions under which a monotonic relationship between the performances of a model on two distributions is expected. We prove an exact asymptotic linear relation for squared error and a monotonic relation for misclassification error for ridge-regularized general linear models under covariate shift, as well as an approximate linear relation for linear inverse problems.  ( 2 min )

Complex networks representing social interactions, brain activities, molecular structures have been studied widely to be able to understand and predict their characteristics as graphs. Models and algorithms for these networks are used in real-life applications, such as search engines, and recommender systems. In general, such networks are modelled by constructing a low-dimensional Euclidean embedding of the vertices of the network, where proximity of the vertices in the Euclidean space hints the likelihood of an edge (link). In this work, we study the performance of such low-rank representations of real-life networks on a network classification problem.  ( 2 min )

With the advent of deep learning methods replacing the ISP in transforming sensor RAW readings into RGB images, numerous methodologies solidified into real-life applications. Equally potent is the task of inverting this process which will have applications in enhancing computational photography tasks that are conducted in the RAW domain, addressing lack of available RAW data while reaping from the benefits of performing tasks directly on sensor readings. This paper's proposed methodology is a state-of-the-art solution to the task of RAW reconstruction, and the multi-step refinement process integrating an overexposure mask is novel in three ways: instead of from RGB to bayer, the pipeline trains from RGB to demosaiced RAW allowing use of perceptual loss functions; the multi-step processes has greatly enhanced the performance of the baseline U-Net from start to end; the pipeline is a generalizable process of refinement that can enhance other high performance methodologies that support end-to-end learning.  ( 2 min )

We consider distributed learning using constant stepsize SGD (DSGD) over several devices, each sending a final model update to a central server. In a final step, the local estimates are aggregated. We prove in the setting of overparameterized linear regression general upper bounds with matching lower bounds and derive learning rates for specific data generating distributions. We show that the excess risk is of order of the variance provided the number of local nodes grows not too large with the global sample size. We further compare the sample complexity of DSGD with the sample complexity of distributed ridge regression (DRR) and show that the excess SGD-risk is smaller than the excess RR-risk, where both sample complexities are of the same order.  ( 2 min )

As the interest to Graph Neural Networks (GNNs) is growing, the importance of benchmarking and performance characterization studies of GNNs is increasing. So far, we have seen many studies that investigate and present the performance and computational efficiency of GNNs. However, the work done so far has been carried out using a few high-level GNN frameworks. Although these frameworks provide ease of use, they contain too many dependencies to other existing libraries. The layers of implementation details and the dependencies complicate the performance analysis of GNN models that are built on top of these frameworks, especially while using architectural simulators. Furthermore, different approaches on GNN computation are generally overlooked in prior characterization studies, and merely one of the common computational models is evaluated. Based on these shortcomings and needs that we observed, we developed a benchmark suite that is framework independent, supporting versatile computational models, easily configurable and can be used with architectural simulators without additional effort. Our benchmark suite, which we call gSuite, makes use of only hardware vendor's libraries and therefore it is independent of any other frameworks. gSuite enables performing detailed performance characterization studies on GNN Inference using both contemporary GPU profilers and architectural GPU simulators. To illustrate the benefits of our new benchmark suite, we perform a detailed characterization study with a set of well-known GNN models with various datasets; running gSuite both on a real GPU card and a timing-detailed GPU simulator. We also implicate the effect of computational models on performance. We use several evaluation metrics to rigorously measure the performance of GNN computation.  ( 3 min )

This review covers the new developments in machine learning (ML) that are impacting the multi-disciplinary area of aerospace engineering, including fundamental fluid dynamics (experimental and numerical), aerodynamics, acoustics, combustion and structural health monitoring. We review the state of the art, gathering the advantages and challenges of ML methods across different aerospace disciplines and provide our view on future opportunities. The basic concepts and the most relevant strategies for ML are presented together with the most relevant applications in aerospace engineering, revealing that ML is improving aircraft performance and that these techniques will have a large impact in the near future.  ( 2 min )

Text-to-image AI systems are capable of generating novel images for inspiration, but their applications for 3D design workflows and how designers can build 3D models using AI-provided inspiration is less understood. To investigate this, we integrated DALL-E, GPT-3, and CLIP within a CAD software in 3DALL-E, a plugin that allows users to construct text and image prompts based on what they are modelling. In a study with 13 designers, we found that designers saw great potential to incorporate 3DALL-E into their workflows and to use text-to-image AI for reference images, renders, materials, and design considerations. Additionally, we elaborate on prompting patterns and provide measures of prompt complexity observed across participants. We conclude on a discussion of how 3DALL-E can merge with existing generative design workflows and propose prompt bibliographies as a form of human-AI design history.  ( 2 min )

Large pre-trained models exhibit distinct and complementary capabilities dependent on the data they are trained on. Language models such as GPT-3 are capable of textual reasoning but cannot understand visual information, while vision models such as DALL-E can generate photorealistic photos but fail to understand complex language descriptions. In this work, we propose a unified framework for composing ensembles of different pre-trained models -- combining the strengths of each individual model to solve various multimodal problems in a zero-shot manner. We use pre-trained models as "generators" or "scorers" and compose them via closed-loop iterative consensus optimization. The generator constructs proposals and the scorers iteratively provide feedback to refine the generated result. Such closed-loop communication enables models to correct errors caused by other models, significantly boosting performance on downstream tasks, e.g. improving accuracy on grade school math problems by 7.5%, without requiring any model finetuning. We demonstrate that consensus achieved by an ensemble of scorers outperforms the feedback of a single scorer, by leveraging the strengths of each expert model. Results show that the proposed method can be used as a general purpose framework for a wide range of zero-shot multimodal tasks, such as image generation, video question answering, mathematical reasoning, and robotic manipulation. Project page: https://energy-based-model.github.io/composing-pretrained-models.  ( 2 min )

Obtaining first-order regret bounds -- regret bounds scaling not as the worst-case but with some measure of the performance of the optimal policy on a given instance -- is a core question in sequential decision-making. While such bounds exist in many settings, they have proven elusive in reinforcement learning with large state spaces. In this work we address this gap, and show that it is possible to obtain regret scaling as $\widetilde{\mathcal{O}}(\sqrt{d^3 H^3 \cdot V_1^\star \cdot K} + d^{3.5}H^3\log K )$ in reinforcement learning with large state spaces, namely the linear MDP setting. Here $V_1^\star$ is the value of the optimal policy and $K$ is the number of episodes. We demonstrate that existing techniques based on least squares estimation are insufficient to obtain this result, and instead develop a novel robust self-normalized concentration bound based on the robust Catoni mean estimator, which may be of independent interest.

Machine learning systems are often applied to data that is drawn from a different distribution than the training distribution. Recent work has shown that for a variety of classification and signal reconstruction problems, the out-of-distribution performance is strongly linearly correlated with the in-distribution performance. If this relationship or more generally a monotonic one holds, it has important consequences. For example, it allows to optimize performance on one distribution as a proxy for performance on the other. In this paper, we study conditions under which a monotonic relationship between the performances of a model on two distributions is expected. We prove an exact asymptotic linear relation for squared error and a monotonic relation for misclassification error for ridge-regularized general linear models under covariate shift, as well as an approximate linear relation for linear inverse problems.

Traffic speed is central to characterizing the fluidity of the road network. Many transportation applications rely on it, such as real-time navigation, dynamic route planning, and congestion management. Rapid advances in sensing and communication techniques make traffic speed detection easier than ever. However, due to sparse deployment of static sensors or low penetration of mobile sensors, speeds detected are incomplete and far from network-wide use. In addition, sensors are prone to error or missing data due to various kinds of reasons, speeds from these sensors can become highly noisy. These drawbacks call for effective techniques to recover credible estimates from the incomplete data. In this work, we first identify the problem as a spatiotemporal kriging problem and propose a unified graph embedded tensor (SGET) learning framework featuring both low-rankness and multi-dimensional correlations for network-wide traffic speed kriging under limited observations. To be specific, three types of speed correlation including temporal continuity, temporal periodicity, and spatial proximity are carefully chosen. We then design an efficient solution algorithm via several effective numeric techniques to scale up the proposed model to network-wide kriging. By performing experiments on two public million-level traffic speed datasets, we finally draw the conclusion and find our proposed SGET achieves the state-of-the-art kriging performance even under low observation rates, while at the same time saving more than half computing time compared with baseline methods. Some insights into spatiotemporal traffic data kriging at the network level are provided as well.

Despite recent advances in automated machine learning, model selection is still a complex and computationally intensive process. For Gaussian processes (GPs), selecting the kernel is a crucial task, often done manually by the expert. Additionally, evaluating the model selection criteria for Gaussian processes typically scales cubically in the sample size, rendering kernel search particularly computationally expensive. We propose a novel, efficient search method through a general, structured kernel space. Previous methods solved this task via Bayesian optimization and relied on measuring the distance between GP's directly in function space to construct a kernel-kernel. We present an alternative approach by defining a kernel-kernel over the symbolic representation of the statistical hypothesis that is associated with a kernel. We empirically show that this leads to a computationally more efficient way of searching through a discrete kernel space.

Deep neural networks are powerful tools to model observations over time with non-linear patterns. Despite the widespread use of neural networks in such settings, most theoretical developments of deep neural networks are under the assumption of independent observations, and theoretical results for temporally dependent observations are scarce. To bridge this gap, we study theoretical properties of deep neural networks on modeling non-linear time series data. Specifically, non-asymptotic bounds for prediction error of (sparse) feed-forward neural network with ReLU activation function is established under mixing-type assumptions. These assumptions are mild such that they include a wide range of time series models including auto-regressive models. Compared to independent observations, established convergence rates have additional logarithmic factors to compensate for additional complexity due to dependence among data points. The theoretical results are supported via various numerical simulation settings as well as an application to a macroeconomic data set.

Graph neural networks (GNNs) are able to leverage the structure of graph data by passing messages along the edges of the graph. While this allows GNNs to learn features depending on the graph structure, for certain graph topologies it leads to inefficient information propagation and a problem known as oversquashing. This has recently been linked with the curvature and spectral gap of the graph. On the other hand, adding edges to the message-passing graph can lead to increasingly similar node representations and a problem known as oversmoothing. We propose a computationally efficient algorithm that prevents oversquashing by systematically adding edges to the graph based on spectral expansion. We combine this with a relational architecture, which lets the GNN preserve the original graph structure and provably prevents oversmoothing. We find experimentally that our algorithm outperforms existing graph rewiring methods in several graph classification tasks.

Bridging geometry and topology, curvature is a powerful and expressive invariant. While the utility of curvature has been theoretically and empirically confirmed in the context of manifolds and graphs, its generalization to the emerging domain of hypergraphs has remained largely unexplored. On graphs, Ollivier-Ricci curvature measures differences between random walks via Wasserstein distances, thus grounding a geometric concept in ideas from probability and optimal transport. We develop ORCHID, a flexible framework generalizing Ollivier-Ricci curvature to hypergraphs, and prove that the resulting curvatures have favorable theoretical properties. Through extensive experiments on synthetic and real-world hypergraphs from different domains, we demonstrate that ORCHID curvatures are both scalable and useful to perform a variety of hypergraph tasks in practice.

Two key challenges facing modern deep learning are mitigating deep networks' vulnerability to adversarial attacks and understanding deep learning's generalization capabilities. Towards the first issue, many defense strategies have been developed, with the most common being Adversarial Training (AT). Towards the second challenge, one of the dominant theories that has emerged is the Neural Tangent Kernel (NTK) -- a characterization of neural network behavior in the infinite-width limit. In this limit, the kernel is frozen, and the underlying feature map is fixed. In finite widths, however, there is evidence that feature learning happens at the earlier stages of the training (kernel learning) before a second phase where the kernel remains fixed (lazy training). While prior work has aimed at studying adversarial vulnerability through the lens of the frozen infinite-width NTK, there is no work that studies the adversarial robustness of the empirical/finite NTK during training. In this work, we perform an empirical study of the evolution of the empirical NTK under standard and adversarial training, aiming to disambiguate the effect of adversarial training on kernel learning and lazy training. We find under adversarial training, the empirical NTK rapidly converges to a different kernel (and feature map) than standard training. This new kernel provides adversarial robustness, even when non-robust training is performed on top of it. Furthermore, we find that adversarial training on top of a fixed kernel can yield a classifier with $76.1\%$ robust accuracy under PGD attacks with $\varepsilon = 4/255$ on CIFAR-10.

Dataset distillation compresses large datasets into smaller synthetic coresets which retain performance with the aim of reducing the storage and computational burden of processing the entire dataset. Today's best-performing algorithm, \textit{Kernel Inducing Points} (KIP), which makes use of the correspondence between infinite-width neural networks and kernel-ridge regression, is prohibitively slow due to the exact computation of the neural tangent kernel matrix, scaling $O(|S|^2)$, with $|S|$ being the coreset size. To improve this, we propose a novel algorithm that uses a random feature approximation (RFA) of the Neural Network Gaussian Process (NNGP) kernel, which reduces the kernel matrix computation to $O(|S|)$. Our algorithm provides at least a 100-fold speedup over KIP and can run on a single GPU. Our new method, termed an RFA Distillation (RFAD), performs competitively with KIP and other dataset condensation algorithms in accuracy over a range of large-scale datasets, both in kernel regression and finite-width network training. We demonstrate the effectiveness of our approach on tasks involving model interpretability and privacy preservation.

Recent studies show that training deep neural networks (DNNs) with Lipschitz constraints are able to enhance adversarial robustness and other model properties such as stability. In this paper, we propose a layer-wise orthogonal training method (LOT) to effectively train 1-Lipschitz convolution layers via parametrizing an orthogonal matrix with an unconstrained matrix. We then efficiently compute the inverse square root of a convolution kernel by transforming the input domain to the Fourier frequency domain. On the other hand, as existing works show that semi-supervised training helps improve empirical robustness, we aim to bridge the gap and prove that semi-supervised learning also improves the certified robustness of Lipschitz-bounded models. We conduct comprehensive evaluations for LOT under different settings. We show that LOT significantly outperforms baselines regarding deterministic l2 certified robustness, and scales to deeper neural networks. Under the supervised scenario, we improve the state-of-the-art certified robustness for all architectures (e.g. from 59.04% to 63.50% on CIFAR-10 and from 32.57% to 34.59% on CIFAR-100 at radius rho = 36/255 for 40-layer networks). With semi-supervised learning over unlabelled data, we are able to improve state-of-the-art certified robustness on CIFAR-10 at rho = 108/255 from 36.04% to 42.39%. In addition, LOT consistently outperforms baselines on different model architectures with only 1/3 evaluation time.

The study of robustness has received much attention due to its inevitability in data-driven settings where many systems face uncertainty. One such example of concern is Bayesian Optimization (BO), where uncertainty is multi-faceted, yet there only exists a limited number of works dedicated to this direction. In particular, there is the work of Kirschner et al. (2020), which bridges the existing literature of Distributionally Robust Optimization (DRO) by casting the BO problem from the lens of DRO. While this work is pioneering, it admittedly suffers from various practical shortcomings such as finite contexts assumptions, leaving behind the main question Can one devise a computationally tractable algorithm for solving this DRO-BO problem? In this work, we tackle this question to a large degree of generality by considering robustness against data-shift in $\phi$-divergences, which subsumes many popular choices, such as the $\chi^2$-divergence, Total Variation, and the extant Kullback-Leibler (KL) divergence. We show that the DRO-BO problem in this setting is equivalent to a finite-dimensional optimization problem which, even in the continuous context setting, can be easily implemented with provable sublinear regret bounds. We then show experimentally that our method surpasses existing methods, attesting to the theoretical results.

In this paper, we study differentially private empirical risk minimization (DP-ERM). It has been shown that the worst-case utility of DP-ERM reduces polynomially as the dimension increases. This is a major obstacle to privately learning large machine learning models. In high dimension, it is common for some model's parameters to carry more information than others. To exploit this, we propose a differentially private greedy coordinate descent (DP-GCD) algorithm. At each iteration, DP-GCD privately performs a coordinate-wise gradient step along the gradients' (approximately) greatest entry. We show theoretically that DP-GCD can achieve a logarithmic dependence on the dimension for a wide range of problems by naturally exploiting their structural properties (such as quasi-sparse solutions). We illustrate this behavior numerically, both on synthetic and real datasets.

In domains where sample sizes are limited, efficient learning algorithms are critical. Learning using privileged information (LuPI) offers increased sample efficiency by allowing prediction models access to auxiliary information at training time which is unavailable when the models are used. In recent work, it was shown that for prediction in linear-Gaussian dynamical systems, a LuPI learner with access to intermediate time series data is never worse and often better in expectation than any unbiased classical learner. We provide new insights into this analysis and generalize it to nonlinear prediction tasks in latent dynamical systems, extending theoretical guarantees to the case where the map connecting latent variables and observations is known up to a linear transform. In addition, we propose algorithms based on random features and representation learning for the case when this map is unknown. A suite of empirical results confirm theoretical findings and show the potential of using privileged time-series information in nonlinear prediction.

We identify and study the phenomenon of policy churn, that is, the rapid change of the greedy policy in value-based reinforcement learning. Policy churn operates at a surprisingly rapid pace, changing the greedy action in a large fraction of states within a handful of learning updates (in a typical deep RL set-up such as DQN on Atari). We characterise the phenomenon empirically, verifying that it is not limited to specific algorithm or environment properties. A number of ablations help whittle down the plausible explanations on why churn occurs to just a handful, all related to deep learning. Finally, we hypothesise that policy churn is a beneficial but overlooked form of implicit exploration that casts $\epsilon$-greedy exploration in a fresh light, namely that $\epsilon$-noise plays a much smaller role than expected.

Since out-of-distribution generalization is a generally ill-posed problem, various proxy targets (e.g., calibration, adversarial robustness, algorithmic corruptions, invariance across shifts) were studied across different research programs resulting in different recommendations. While sharing the same aspirational goal, these approaches have never been tested under the same experimental conditions on real data. In this paper, we take a unified view of previous work, highlighting message discrepancies that we address empirically, and providing recommendations on how to measure the robustness of a model and how to improve it. To this end, we collect 172 publicly available dataset pairs for training and out-of-distribution evaluation of accuracy, calibration error, adversarial attacks, environment invariance, and synthetic corruptions. We fine-tune over 31k networks, from nine different architectures in the many- and few-shot setting. Our findings confirm that in- and out-of-distribution accuracies tend to increase jointly, but show that their relation is largely dataset-dependent, and in general more nuanced and more complex than posited by previous, smaller scale studies.

The practical success of overparameterized neural networks has motivated the recent scientific study of interpolating methods, which perfectly fit their training data. Certain interpolating methods, including neural networks, can fit noisy training data without catastrophically bad test performance, in defiance of standard intuitions from statistical learning theory. Aiming to explain this, a body of recent work has studied benign overfitting, a phenomenon where some interpolating methods approach Bayes optimality, even in the presence of noise. In this work we argue that while benign overfitting has been instructive and fruitful to study, many real interpolating methods like neural networks do not fit benignly: modest noise in the training set causes nonzero (but non-infinite) excess risk at test time, implying these models are neither benign nor catastrophic but rather fall in an intermediate regime. We call this intermediate regime tempered overfitting, and we initiate its systematic study. We first explore this phenomenon in the context of kernel (ridge) regression (KR) by obtaining conditions on the ridge parameter and kernel eigenspectrum under which KR exhibits each of the three behaviors. We find that kernels with powerlaw spectra, including Laplace kernels and ReLU neural tangent kernels, exhibit tempered overfitting. We then empirically study deep neural networks through the lens of our taxonomy, and find that those trained to interpolation are tempered, while those stopped early are benign. We hope our work leads to a more refined understanding of overfitting in modern learning.

We show that label noise exists in adversarial training. Such label noise is due to the mismatch between the true label distribution of adversarial examples and the label inherited from clean examples - the true label distribution is distorted by the adversarial perturbation, but is neglected by the common practice that inherits labels from clean examples. Recognizing label noise sheds insights on the prevalence of robust overfitting in adversarial training, and explains its intriguing dependence on perturbation radius and data quality. Also, our label noise perspective aligns well with our observations of the epoch-wise double descent in adversarial training. Guided by our analyses, we proposed a method to automatically calibrate the label to address the label noise and robust overfitting. Our method achieves consistent performance improvements across various models and datasets without introducing new hyper-parameters or additional tuning.

One of the key challenges in decentralized and federated learning is to design algorithms that efficiently deal with highly heterogeneous data distributions across agents. In this paper, we revisit the analysis of the popular Decentralized Stochastic Gradient Descent algorithm (D-SGD) under data heterogeneity. We exhibit the key role played by a new quantity, called neighborhood heterogeneity, on the convergence rate of D-SGD. By coupling the communication topology and the heterogeneity, our analysis sheds light on the poorly understood interplay between these two concepts. We then argue that neighborhood heterogeneity provides a natural criterion to learn data-dependent topologies that reduce (and can even eliminate) the otherwise detrimental effect of data heterogeneity on the convergence time of D-SGD. For the important case of classification with label skew, we formulate the problem of learning such a good topology as a tractable optimization problem that we solve with a Frank-Wolfe algorithm. As illustrated over a set of simulated and real-world experiments, our approach provides a principled way to design a sparse topology that balances the convergence speed and the per-iteration communication costs of D-SGD under data heterogeneity.

In performative prediction, a predictive model impacts the distribution that generates future data, a phenomenon that is being ignored in classical supervised learning. In this closed-loop setting, the natural measure of performance named performative risk ($\mathrm{PR}$), captures the expected loss incurred by a predictive model \emph{after} deployment. The core difficulty of using the performative risk as an optimization objective is that the data distribution itself depends on the model parameters. This dependence is governed by the environment and not under the control of the learner. As a consequence, even the choice of a convex loss function can result in a highly non-convex $\mathrm{PR}$ minimization problem. Prior work has identified a pair of general conditions on the loss and the mapping from model parameters to distributions that implies the convexity of the performative risk. In this paper, we relax these assumptions and focus on obtaining weaker notions of convexity, without sacrificing the amenability of the $\mathrm{PR}$ minimization problem for iterative optimization methods.

This paper focuses on computing the convex conjugate operation that arises when solving Euclidean Wasserstein-2 optimal transport problems. This conjugation, which is also referred to as the Legendre-Fenchel conjugate or $c$-transform, is considered difficult to compute and in practice, Wasserstein-2 methods are limited by not being able to exactly conjugate the dual potentials in continuous space. I show that combining amortized approximations to the conjugate with a solver for fine-tuning is computationally easy. This combination significantly improves the quality of transport maps learned for the Wasserstein-2 benchmark by Korotin et al. (2021) and is able to model many 2-dimensional couplings and flows considered in the literature. All of the baselines, methods, and solvers in this paper are available at this http URL

Hessian captures important properties of the deep neural network loss landscape. Previous works have observed low rank structure in the Hessians of neural networks. In this paper, we propose a decoupling conjecture that decomposes the layer-wise Hessians of a network as the Kronecker product of two smaller matrices. We can analyze the properties of these smaller matrices and prove the structure of top eigenspace random 2-layer networks. The decoupling conjecture has several other interesting implications - top eigenspaces for different models have surprisingly high overlap, and top eigenvectors form low rank matrices when they are reshaped into the same shape as the corresponding weight matrix. All of these can be verified empirically for deeper networks. Finally, we use the structure of layer-wise Hessian to get better explicit generalization bounds for neural networks.

Machine learning models can leak information about the data used to train them. To mitigate this issue, Differentially Private (DP) variants of optimization algorithms like Stochastic Gradient Descent (DP-SGD) have been designed to trade-off utility for privacy in Empirical Risk Minimization (ERM) problems. In this paper, we propose Differentially Private proximal Coordinate Descent (DP-CD), a new method to solve composite DP-ERM problems. We derive utility guarantees through a novel theoretical analysis of inexact coordinate descent. Our results show that, thanks to larger step sizes, DP-CD can exploit imbalance in gradient coordinates to outperform DP-SGD. We also prove new lower bounds for composite DP-ERM under coordinate-wise regularity assumptions, that are nearly matched by DP-CD. For practical implementations, we propose to clip gradients using coordinate-wise thresholds that emerge from our theory, avoiding costly hyperparameter tuning. Experiments on real and synthetic data support our results, and show that DP-CD compares favorably with DP-SGD.

We prove a new generalization bound that shows for any class of linear predictors in Gaussian space, the Rademacher complexity of the class and the training error under any continuous loss $\ell$ can control the test error under all Moreau envelopes of the loss $\ell$. We use our finite-sample bound to directly recover the "optimistic rate" of Zhou et al. (2021) for linear regression with the square loss, which is known to be tight for minimal $\ell_2$-norm interpolation, but we also handle more general settings where the label is generated by a potentially misspecified multi-index model. The same argument can analyze noisy interpolation of max-margin classifiers through the squared hinge loss, and establishes consistency results in spiked-covariance settings. More generally, when the loss is only assumed to be Lipschitz, our bound effectively improves Talagrand's well-known contraction lemma by a factor of two, and we prove uniform convergence of interpolators (Koehler et al. 2021) for all smooth, non-negative losses. Finally, we show that application of our generalization bound using localized Gaussian width will generally be sharp for empirical risk minimizers, establishing a non-asymptotic Moreau envelope theory for generalization that applies outside of proportional scaling regimes, handles model misspecification, and complements existing asymptotic Moreau envelope theories for M-estimation.

A fundamental task in science is to design experiments that yield valuable insights about the system under study. Mathematically, these insights can be represented as a utility or risk function that shapes the value of conducting each experiment. We present PDBAL, a targeted active learning method that adaptively designs experiments to maximize scientific utility. PDBAL takes a user-specified risk function and combines it with a probabilistic model of the experimental outcomes to choose designs that rapidly converge on a high-utility model. We prove theoretical bounds on the label complexity of PDBAL and provide fast closed-form solutions for designing experiments with common exponential family likelihoods. In simulation studies, PDBAL consistently outperforms standard untargeted approaches that focus on maximizing expected information gain over the design space. Finally, we demonstrate the scientific potential of PDBAL through a study on a large cancer drug screen dataset where PDBAL quickly recovers the most efficacious drugs with a small fraction of the total number of experiments.

There has been enormous progress in the last few years in designing neural networks that respect the fundamental symmetries and coordinate freedoms of physical law. Some of these frameworks make use of irreducible representations, some make use of high-order tensor objects, and some apply symmetry-enforcing constraints. Different physical laws obey different combinations of fundamental symmetries, but a large fraction (possibly all) of classical physics is equivariant to translation, rotation, reflection (parity), boost (relativity), and permutations. Here we show that it is simple to parameterize universally approximating polynomial functions that are equivariant under these symmetries, or under the Euclidean, Lorentz, and Poincar\'e groups, at any dimensionality $d$. The key observation is that nonlinear O($d$)-equivariant (and related-group-equivariant) functions can be universally expressed in terms of a lightweight collection of scalars -- scalar products and scalar contractions of the scalar, vector, and tensor inputs. We complement our theory with numerical examples that show that the scalar-based method is simple, efficient, and scalable.

Causal discovery from observational and interventional data is challenging due to limited data and non-identifiability: factors that introduce uncertainty in estimating the underlying structural causal model (SCM). Selecting experiments (interventions) based on the uncertainty arising from both factors can expedite the identification of the SCM. Existing methods in experimental design for causal discovery from limited data either rely on linear assumptions for the SCM or select only the intervention target. This work incorporates recent advances in Bayesian causal discovery into the Bayesian optimal experimental design framework, allowing for active causal discovery of large, nonlinear SCMs while selecting both the interventional target and the value. We demonstrate the performance of the proposed method on synthetic graphs (Erdos-R\`enyi, Scale Free) for both linear and nonlinear SCMs as well as on the \emph{in-silico} single-cell gene regulatory network dataset, DREAM.

Hawkes processes are point process models that have been used to capture self-excitatory behavior in social interactions, neural activity, earthquakes and viral epidemics. They can model the occurrence of the times and locations of events. Here we develop a new class of spatiotemporal Hawkes processes that can capture both triggering and clustering behavior and we provide an efficient method for performing inference. We use a log-Gaussian Cox process (LGCP) as prior for the background rate of the Hawkes process which gives arbitrary flexibility to capture a wide range of underlying background effects (for infectious diseases these are called endemic effects). The Hawkes process and LGCP are computationally expensive due to the former having a likelihood with quadratic complexity in the number of observations and the latter involving inversion of the precision matrix which is cubic in observations. Here we propose a novel approach to perform MCMC sampling for our Hawkes process with LGCP background, using pre-trained Gaussian Process generators which provide direct and cheap access to samples during inference. We show the efficacy and flexibility of our approach in experiments on simulated data and use our methods to uncover the trends in a dataset of reported crimes in the US.

Graphical models and factor analysis are well-established tools in multivariate statistics. While these models can be both linked to structures exhibited by covariance and precision matrices, they are generally not jointly leveraged within graph learning processes. This paper therefore addresses this issue by proposing a flexible algorithmic framework for graph learning under low-rank structural constraints on the covariance matrix. The problem is expressed as penalized maximum likelihood estimation of an elliptical distribution (a generalization of Gaussian graphical models to possibly heavy-tailed distributions), where the covariance matrix is optionally constrained to be structured as low-rank plus diagonal (low-rank factor model). The resolution of this class of problems is then tackled with Riemannian optimization, where we leverage geometries of positive definite matrices and positive semi-definite matrices of fixed rank that are well suited to elliptical models. Numerical experiments on real-world data sets illustrate the effectiveness of the proposed approach.

Reinforcement learning (RL) is frequently employed in fine-tuning large language models (LMs), such as GPT-3, to penalize them for undesirable features of generated sequences, such as offensiveness, social bias, harmfulness or falsehood. The RL formulation involves treating the LM as a policy and updating it to maximise the expected value of a reward function which captures human preferences, such as non-offensiveness. In this paper, we analyze challenges associated with treating a language model as an RL policy and show how avoiding those challenges requires moving beyond the RL paradigm. We start by observing that the standard RL approach is flawed as an objective for fine-tuning LMs because it leads to distribution collapse: turning the LM into a degenerate distribution. Then, we analyze KL-regularised RL, a widely used recipe for fine-tuning LMs, which additionally constrains the fine-tuned LM to stay close to its original distribution in terms of Kullback-Leibler (KL) divergence. We show that KL-regularised RL is equivalent to variational inference: approximating a Bayesian posterior which specifies how to update a prior LM to conform with evidence provided by the reward function. We argue that this Bayesian inference view of KL-regularised RL is more insightful than the typically employed RL perspective. The Bayesian inference view explains how KL-regularised RL avoids the distribution collapse problem and offers a first-principles derivation for its objective. While this objective happens to be equivalent to RL (with a particular choice of parametric reward), there exist other objectives for fine-tuning LMs which are no longer equivalent to RL. That observation leads to a more general point: RL is not an adequate formal framework for problems such as fine-tuning language models. These problems are best viewed as Bayesian inference: approximating a pre-defined target distribution.

In this paper, we propose Barrier Hamiltonian Monte Carlo (BHMC), a version of HMC which aims at sampling from a Gibbs distribution $\pi$ on a manifold $\mathsf{M}$, endowed with a Hessian metric $\mathfrak{g}$ derived from a self-concordant barrier. Like Riemannian Manifold HMC, our method relies on Hamiltonian dynamics which comprise $\mathfrak{g}$. It incorporates the constraints defining $\mathsf{M}$ and is therefore able to exploit its underlying geometry. We first introduce c-BHMC (continuous BHMC), for which we assume that the Hamiltonian dynamics can be integrated exactly, and show that it generates a Markov chain for which $\pi$ is invariant. Secondly, we design n-BHMC (numerical BHMC), a Metropolis-Hastings algorithm which combines an acceptance filter including a "reverse integration check" and numerical integrators of the Hamiltonian dynamics. Our main results establish that n-BHMC generates a reversible Markov chain with respect to $\pi$. This is in contrast to existing algorithms which extend the HMC method to Riemannian manifolds, as they do not deal with asymptotic bias. Our conclusions are supported by numerical experiments where we consider target distributions defined on polytopes.

Controlled feature selection aims to discover the features a response depends on while limiting the false discovery rate (FDR) to a predefined level. Recently, multiple deep-learning-based methods have been proposed to perform controlled feature selection through the Model-X knockoff framework. We demonstrate, however, that these methods often fail to control the FDR for two reasons. First, these methods often learn inaccurate models of features. Second, the "swap" property, which is required for knockoffs to be valid, is often not well enforced. We propose a new procedure called FlowSelect to perform controlled feature selection that does not suffer from either of these two problems. To more accurately model the features, FlowSelect uses normalizing flows, the state-of-the-art method for density estimation. Instead of enforcing the "swap" property, FlowSelect uses a novel MCMC-based procedure to calculate p-values for each feature directly. Asymptotically, FlowSelect computes valid p-values. Empirically, FlowSelect consistently controls the FDR on both synthetic and semi-synthetic benchmarks, whereas competing knockoff-based approaches do not. FlowSelect also demonstrates greater power on these benchmarks. Additionally, FlowSelect correctly infers the genetic variants associated with specific soybean traits from GWAS data.

In online learning problems, exploiting low variance plays an important role in obtaining tight performance guarantees yet is challenging because variances are often not known a priori. Recently, considerable progress has been made by Zhang et al. (2021) where they obtain a variance-adaptive regret bound for linear bandits without knowledge of the variances and a horizon-free regret bound for linear mixture Markov decision processes (MDPs). In this paper, we present novel analyses that improve their regret bounds significantly. For linear bandits, we achieve $\tilde O(\min\{d\sqrt{K}, d^{1.5}\sqrt{\sum_{k=1}^K \sigma_k^2}\} + d^2)$ where $d$ is the dimension of the features, $K$ is the time horizon, and $\sigma_k^2$ is the noise variance at time step $k$, and $\tilde O$ ignores polylogarithmic dependence, which is a factor of $d^3$ improvement. For linear mixture MDPs with the assumption of maximum cumulative reward in an episode being in $[0,1]$, we achieve a horizon-free regret bound of $\tilde O(d \sqrt{K} + d^2)$ where $d$ is the number of base models and $K$ is the number of episodes. This is a factor of $d^{3.5}$ improvement in the leading term and $d^7$ in the lower order term. Our analysis critically relies on a novel peeling-based regret analysis that leverages the elliptical potential `count' lemma.

In this paper, we address the dichotomy between heterogeneous models and simultaneous training in Federated Learning (FL) via a clustering framework. We define a new clustering model for FL based on the (optimal) local models of the users: two users belong to the same cluster if their local models are close; otherwise they belong to different clusters. A standard algorithm for clustered FL is proposed in \cite{ghosh_efficient_2021}, called \texttt{IFCA}, which requires \emph{suitable} initialization and the knowledge of hyper-parameters like the number of clusters (which is often quite difficult to obtain in practical applications) to converge. We propose an improved algorithm, \emph{Successive Refine Federated Clustering Algorithm} (\texttt{SR-FCA}), which removes such restrictive assumptions. \texttt{SR-FCA} treats each user as a singleton cluster as an initialization, and then successively refine the cluster estimation via exploiting similar users belonging to the same cluster. In any intermediate step, \texttt{SR-FCA} uses a robust federated learning algorithm within each cluster to exploit simultaneous training and to correct clustering errors. Furthermore, \texttt{SR-FCA} does not require any \emph{good} initialization (warm start), both in theory and practice. We show that with proper choice of learning rate, \texttt{SR-FCA} incurs arbitrarily small clustering error. Additionally, we validate the performance of our algorithm on standard FL datasets in non-convex problems like neural nets, and we show the benefits of \texttt{SR-FCA} over baselines.

Diffusion models can be viewed as mapping points in a high-dimensional latent space onto a low-dimensional learned manifold, typically an image manifold. The intermediate values between the latent space and image manifold can be interpreted as noisy images which are determined by the noise scheduling scheme employed during pre-training. We exploit this interpretation to introduce Boomerang, a local image manifold sampling approach using the dynamics of diffusion models. We call it Boomerang because we first add noise to an input image, moving it closer to the latent space, then bring it back to the image space through diffusion dynamics. We use this method to generate images which are similar, but nonidentical, to the original input images on the image manifold. We are able to set how close the generated image is to the original based on how much noise we add. Additionally, the generated images have a degree of stochasticity, allowing us to locally sample as many times as we want without repetition. We show three applications for which Boomerang can be used. First, we provide a framework for constructing privacy-preserving datasets having controllable degrees of anonymity. Second, we show how to use Boomerang for data augmentation while staying on the image manifold. Third, we introduce a framework for image super-resolution with 8x upsampling. Boomerang does not require any modification to the training of diffusion models and can be used with pretrained models on a single, inexpensive GPU.

We consider distributed learning using constant stepsize SGD (DSGD) over several devices, each sending a final model update to a central server. In a final step, the local estimates are aggregated. We prove in the setting of overparameterized linear regression general upper bounds with matching lower bounds and derive learning rates for specific data generating distributions. We show that the excess risk is of order of the variance provided the number of local nodes grows not too large with the global sample size. We further compare the sample complexity of DSGD with the sample complexity of distributed ridge regression (DRR) and show that the excess SGD-risk is smaller than the excess RR-risk, where both sample complexities are of the same order.

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior distribution of the parameters in deep neural networks by performing Bayesian inference on the network parameters. The posterior distribution is efficiently sampled using HMC to quantify uncertainties in the system. Several numerical examples are shown for both forward and inverse problems in high dimension to demonstrate the effectiveness of the proposed method for uncertainty quantification. These also show promising results that the computational cost is almost independent of the dimension of the problem demonstrating the potential of the method for tackling the so-called curse of dimensionality.

We study the stochastic contextual bandit with knapsacks (CBwK) problem, where each action, taken upon a context, not only leads to a random reward but also costs a random resource consumption in a vector form. The challenge is to maximize the total reward without violating the budget for each resource. We study this problem under a general realizability setting where the expected reward and expected cost are functions of contexts and actions in some given general function classes $\mathcal{F}$ and $\mathcal{G}$, respectively. Existing works on CBwK are restricted to the linear function class since they use UCB-type algorithms, which heavily rely on the linear form and thus are difficult to extend to general function classes. Motivated by online regression oracles that have been successfully applied to contextual bandits, we propose the first universal and optimal algorithmic framework for CBwK by reducing it to online regression. We also establish the lower regret bound to show the optimality of our algorithm for a variety of function classes.

Assessing the validity of a real-world system with respect to given quality criteria is a common yet costly task in industrial applications due to the vast number of required real-world tests. Validating such systems by means of simulation offers a promising and less expensive alternative, but requires an assessment of the simulation accuracy and therefore end-to-end measurements. Additionally, covariate shifts between simulations and actual usage can cause difficulties for estimating the reliability of such systems. In this work, we present a validation method that propagates bounds on distributional discrepancy measures through a composite system, thereby allowing us to derive an upper bound on the failure probability of the real system from potentially inaccurate simulations. Each propagation step entails an optimization problem, where -- for measures such as maximum mean discrepancy (MMD) -- we develop tight convex relaxations based on semidefinite programs. We demonstrate that our propagation method yields valid and useful bounds for composite systems exhibiting a variety of realistic effects. In particular, we show that the proposed method can successfully account for data shifts within the experimental design as well as model inaccuracies within the used simulation.

Supervised learning in reproducing kernel Hilbert space (RKHS) and vector-valued RKHS (vvRKHS) has been investigated for more than 30 years. In this paper, we provide a new twist to this rich literature by generalizing supervised learning in RKHS and vvRKHS to reproducing kernel Hilbert $C^*$-module (RKHM), and show how to construct effective positive-definite kernels by considering the perspective of $C^*$-algebra. Unlike the cases of RKHS and vvRKHS, we can use $C^*$-algebras to enlarge representation spaces. This enables us to construct RKHMs whose representation power goes beyond RKHSs, vvRKHSs, and existing methods such as convolutional neural networks. Our framework is suitable, for example, for effectively analyzing image data by allowing the interaction of Fourier components.

Fitting a polynomial to observed data is an ubiquitous task in many signal processing and machine learning tasks, such as interpolation and prediction. In that context, input and output pairs are available and the goal is to find the coefficients of the polynomial. However, in many applications, the input may be partially known or not known at all, rendering conventional regression approaches not applicable. In this paper, we formally state the (potentially partial) blind regression problem, illustrate some of its theoretical properties, and propose algorithmic approaches to solve it. As a case-study, we apply our methods to a jitter-correction problem and corroborate its performance.

submitted by /u/MikeYEAHMusic [link] [comments]  ( 111 min )

I'm trying to do an algorithm project on text to speech, and found these channels that have an extremely realistic text to speech software. I know it isn't a human because multiple different channels use it, but its much better than the regular text to speech software. If anyone has any idea, please let me know, and I'll pay 100 dollars to the first person who tells me how to find this software cuz I've been searching for a long time videos: He Is Handsome And Talented In Studying But Playing Games Using "Hack" | Anime Recap - YouTube He Got Possessed By A Overpowered Dragon Soul And Takes Revenge On The Demons - YouTube He Can Easily Learn All The Hardest Forbidden Magic - YouTube submitted by /u/stive52 [link] [comments]  ( 117 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 111 min )

I'm trying to do an algorithm project on text to speech, and found these channels that have an extremely realistic text to speech software. I know it isn't a human because multiple different channels use it, but its much better than the regular text to speech software. If anyone has any idea, please let me know, and I'll pay 20 dollars to the first person who tells me how to find this software cuz I've been searching for a long time ​ [UPDATE] ill pay 100 DOLLARS! videos: He Is Handsome And Talented In Studying But Playing Games Using "Hack" | Anime Recap - YouTube He Got Possessed By A Overpowered Dragon Soul And Takes Revenge On The Demons - YouTube He Can Easily Learn All The Hardest Forbidden Magic - YouTube submitted by /u/stive52 [link] [comments]  ( 116 min )

submitted by /u/imaginfinity [link] [comments]  ( 113 min )

Hi everyone, I would like to humbly introduce my YouTube channel - WhyML - where I discuss mostly about why some things happen in machine learning (e.g. why regularization works, why there are vanishing gradients in RNNs etc). I hope that this channel may help any of you gain more insight into some topics. Any kind of feedback regarding my content is wholeheartedly welcomed! Many thanks in advance! P.S. The first three videos have poor audio quality, sorry for that (added subs for them). :( submitted by /u/Personal-Trainer-541 [link] [comments]  ( 115 min )

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View Poll submitted by /u/yea_okay_dude [link] [comments]  ( 130 min )

Hello everyone, ​ I have been working on multiple philosophy tuned AI models for some time now (mainly for my own curiosity) and I wanted to share the results; there are 3 unique versions, all of them are philosophical and deep enough to spark curiosity (which was my main goal) and each have their own distinctive personalities/views. ​ The models can be accessed from my self made website ; https://lisica.ai -> https://lisica.ai/Aeriform/index.html I have also created a "guest" mode where you can look at samples from the models to see beforehand if they are worth giving a shot or not. I hope to appeal to curiosity of people looking for thought-provoking conversations. ​ ​ The Dreaming One ​ ​ Feel free to reach me at my discord for any questions or feedback.. https://discord.com/invite/Sg7fhZ9NyD submitted by /u/developersfox [link] [comments]  ( 122 min )

submitted by /u/Illustrious_Row_9971 [link] [comments]  ( 127 min )

Hi. English is my second language. When I'm reading ML papers, especially when writers are non-english speakers (generally Chinese), I see phrases that I have never seen before and I just don't get what they are trying to say. For example, today I have seen this (emphasis mine): "It utilizes tensors as the fundamental scheduling units to consist with the layer-wise computations enforced in DL performance primitives cuDNN [7]. " What does it mean? Nothing comes up on Google when I search. Too many times I have skipped sentences and failed to understand papers completely because of things like this. Is my English not adequate or does committees miss typos(?) like this? DOI: 10.1145/3178487.3178491 submitted by /u/Confused_Electron [link] [comments]  ( 125 min )

Please post your questions here instead of creating a new thread. Encourage others who create new posts for questions to post here instead! Thread will stay alive until next one so keep posting after the date in the title. Thanks to everyone for answering questions in the previous thread! submitted by /u/AutoModerator [link] [comments]  ( 121 min )

https://blog.tensorflow.org/2022/10/building-the-future-of-tensorflow.html submitted by /u/eparlan [link] [comments]  ( 124 min )

I would like to share something I have been working on lately. It is a implementation of seq-nms in PyTorch. It is implemented in PyTorch's C++ frontend (for better performance, but can be called from python) and include features such as torch-scriptability (i.e. you can export it for deployment). It can be found here: https://github.com/MrParosk/seq_nms If you have any feedback please let me know! submitted by /u/eparlan [link] [comments]  ( 121 min )

Hi, when reading Stochastic Gradient MCMC paper (1907.06986) I found something interesting, I want to check my idea by your experts: W'=W - h/2*N/n*sum(grad[i]) + sqrt(h)*N(0,1), denoted as W'=W-G+R where h is the learning rate, N is sample size, n is batch size. R component requires sampling from Gaussian PRNG which is slow. My idea is that the G component itself has randomness due to sampling. If we force G's variance equal to R' variance, we can omit the R component. (Key Idea to be validated by your experts). If this assumption is true, let me show you some interesting results: var(G)=h*h/4*N*N/n/n*n*VarGrad=h h/4*N*N/n*VarGrad=1 h=4n/N/N/VarGrad G=2/N/VarGrad*sum(grad[i]) let L=2/(N*VarGrad) (A) W'=W-L*sum(grad[i]) (B) A and B says we should linearly increase learning rate with batch size with a rate of 2/(N*VarGrad). VarGrad is available with Adam style exponential moving average. That's it. Looking for your reply! submitted by /u/wangyi_fudan [link] [comments]  ( 123 min )

Title is self descriptive. I thought that on 20th. October openreview would make public the reviews of the accepted papers, and of the rejected papers who opted-in . Is there any other date for that? submitted by /u/No-Spirit-7840 [link] [comments]  ( 121 min )

Blockchain is a method for storing data that makes it harder to hack the system. The business blockchain is a distributed, encrypted database that its authorized users can only alter. Users have a complete say over how other users view data and what actions can be taken by other users within the network. The post How Businesses can boost Revenue Using Blockchain Technology appeared first on Data Science Central.  ( 20 min )

Banks and financial institutions offer great value and convenience to their end users. However, they are notorious for being susceptible to fraudulent attacks such as credit card identity theft. A lot has been done in adding layers of security to an individual’s banking experience. The post How RFID Technology is Applied in Banks and Financial Institutions appeared first on Data Science Central.  ( 20 min )

The role of technology in accounting is rapidly changing the face of this field in many ways. From chatbots to actively handling the management accountants, from facing the enhanced regulations and demands from clients to well-management of time-consumed works, day-to-day tasks and processes of accounting the machines can do or streamline will help the professionals speed up their work. The post An Overview of Top Trends in Accounting appeared first on Data Science Central.  ( 20 min )

I just tested Isaac gym on a consumer grade "modest" gpu (2080). I am extremely impressed how a quadruped gait can be learned in just a few minutes ! Now we need to find affordable hardware for system identification (aka making an accurate model of your hardware robot), heavy domain randomization, and the future of robotic control will be reinforcement learning based ! What do you think ? https://preview.redd.it/llxrfz6w5lv91.png?width=815&format=png&auto=webp&s=558fa8506d99b9533435e2cf822464c2fc847f76 submitted by /u/Remet0n [link] [comments]  ( 120 min )

Hey guys. Does any one know any sources of information on what the process looks like for initially training an agent and on exampled behavior with supervised learning and then switching to letting it loose using reinforcement learning For example how Deep mind trained Alpha Go with SL on human played games and then after used RI? I usually prefer videos but anything is appreciated. Thanks submitted by /u/punkCyb3r4J [link] [comments]  ( 117 min )

I'm applying to PhD programs and have been curious about RL for finance and was wondering what professors work in this field. I don't know much about financial trading and I was also curious if ML sub-fields such as RL have shown great utility in increasing profits? submitted by /u/DolantheMFWizard [link] [comments]  ( 118 min )

Hi, I was wondering if anyone could provide sources addressing the above problem. I can already find sources that deal with subsets of the problem i.e. just imperfect information, just a stochastic world model, just simultaneous games etc. I was wondering if anyone knew of any approaches that attempt to tackle all 3, or even had pseudocode/GitHub repos of dealing with this. Thanks in advance! submitted by /u/atomicburn125 [link] [comments]  ( 119 min )

I am an undergraduate CS student working on starting a project with a professor at my school that involves RL for water treatment. I would really appreciate some guidance on what kind of RL might be best as a starting point for this type of project. Ultimately the RL systems will control a virtual water treatment environment which will include various devices to monitor different properties of the environment and then devices to change those properties in order to control the condition of the final output water. For example, a device to monitor the level of a certain chemical in the water, devices to pump different chemicals, devices to monitor the output water's final chemical composition, devices to check the temperature and flow rate of the water through various pieces of equipment, etc. All of these different monitoring and control mechanisms would need to be able to work together to produce the optimal output water condition. My initial thought was that I could use SAC for the RL agents and a centralised multi-agent architecture so that the agents would have the ability to share parameters. But I am not sure if this would make sense. The way I'm thinking about it would mean that the agents would be the various devices that are controlling and monitoring the system. Is this the wrong way to look at this problem? Should I instead be thinking of this system as one agent who's state consists of of the various chemical pump outputs, chemical measurements, flow rates, final output water composition, etc.? If this centralised multi-agent SAC system is the wrong approach do you have any suggestions for what might be a better alternative? Thanks in advance! submitted by /u/lifelifebalance [link] [comments]  ( 119 min )

Posted by Shaina Mehta, Program Manager, Google Google is proud to be a Platinum Sponsor of the European Conference on Computer Vision (ECCV 2022), a premier forum for the dissemination of research in computer vision and machine learning (ML). This year, ECCV 2022 will be held as a hybrid event, in person in Tel Aviv, Israel with virtual attendance as an option. Google has a strong presence at this year’s conference with over 60 accepted publications and active involvement in a number of workshops and tutorials. We look forward to sharing some of our extensive research and expanding our partnership with the broader ML research community. Registered for ECCV 2022? We hope you’ll visit our on-site or virtual booths to learn more about the research we’re presenting at ECCV 2022, includin…  ( 94 min )

Despite the negativity surrounding social media lately, it’s still an incredibly powerful tool that can be used for good, and any social media strategy should consider this technology's intrinsic benefits. Here are 15 reasons to keep using social media: The post 15 Reasons to Keep Using Social Media appeared first on Data Science Central.  ( 20 min )

This post will look at India’s first interplanetary mission, Mars Orbiter Mission, to illustrate points in recent posts. As suggested by the logo, the probe had a very eccentric orbit of Mars with periareion 421.7 km and apoareion 76,993.6 km. We can derive everything else from these numbers. Peri-what?! As mentioned in footnote 2 of […] Elliptical orbit example: Mars Orbiter Mission first appeared on John D. Cook.  ( 5 min )

Military Standard 105 (MIL-STD-105) is the grand daddy of sampling acceptance standards. The standard grew out of work done at Bell Labs in the 1930s and was first published during WWII. There were five updates to the standard, the last edition being MIL-STD-105E, published in 1989. In 1995 the standard was officially cancelled when the […] Military Standard 105 first appeared on John D. Cook.  ( 5 min )

Orbital mechanics has a lot of arcane terminology because it has been studied for centuries. V. I. Arnold said that orbital mechanics was one of the three main sources of modern mathematics. Mean anomaly, true anomaly, and eccentric anomaly are three ways of describing where an object is in its orbit. All would be the […] Mean anomaly, true anomaly, and eccentric anomaly first appeared on John D. Cook.  ( 7 min )

I'm creating an ML audio diagnosis and was unsure if I should invest in an analog to digital converter, it if the program can turn the analog signals directly into a spectogram submitted by /u/SSC_08 [link] [comments]  ( 119 min )

I'm particularly interested in the following question: are there any models of hebbian networks where several weights between two nodes exist? (and which one is to be updated might be resolved by chance/ depend on some predefined rules?) It occurred to me that it could be interesting to derive some properties of Hopfield networks where weights are represented not in matrix form but as a tensor so that every pair of nodes has several weights between them. I looked for these models in scholar and in google but didn't find anything resembling this idea. I believe that's not a consequence of my outstanding intellect that I'm the first human, who has thought of it, but just pure dumb search algorithms which don't show anything related to the topic, as it's not something i usually search for. I've already posted this question in compmathneuroscience reddit and I was sent here as a more appropriate place to ask it. initial question: https://www.reddit.com/r/compmathneuro/comments/ya6rgy/hebbian_network/ (caveat - in the title there is a mistake, it's Hopfield , not Hebbian) submitted by /u/Reasonable_Tie_5607 [link] [comments]  ( 122 min )

Happy to announce CORL — a library that provides high-quality single-file implementations of Deep Offline Reinforcement Learning algorithms and uses Weights and Biases to track experiments. SOTA algorithms (Decision Transformer, AWAC, BC, CQL, IQL, TD3+BC, SAC-N, EDAC) Benchmarked on widely used D4RL datasets (results match performances reported in the original papers, sometimes even with better results) Configs with hyperparameters for better reproduction Weights&Biases logs for all of the experiments (so that you don’t have to solely rely on final performances from papers) github: https://github.com/tinkoff-ai/CORL paper: https://arxiv.org/abs/2210.07105 (accepted at NeurIPS, 3rd Offline RL Workshop) submitted by /u/vkurenkov [link] [comments]  ( 122 min )

Some early statistics about this year's NeurIPS conference. https://github.com/sanagno/neurips_2022_statistics submitted by /u/asotos11 [link] [comments]  ( 121 min )

In many disciplines, practice is usually deviates away from the theory. Is that the same in ML? If so, what are they? submitted by /u/4bedoe [link] [comments]  ( 121 min )

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Like RETRO or something similar. Does anyone know if any retrieval based language model is available to download? submitted by /u/invertedpassion [link] [comments]  ( 121 min )

txtai executes machine-learning workflows to transform data and build AI-powered semantic search applications. A full-fledged vector search application can be created with a couple lines of code. There are also almost 40 example notebooks covering many different use cases. 5.1 adds new model support for the translation pipeline, OpenAI Whisper support in the transcription pipeline and ARM Docker images. Topic modeling was also updated with improvements, including how to use BM25/TF-IDF indexes to drive topic models. GitHub | Release Notes | Docker Hub | Examples submitted by /u/davidmezzetti [link] [comments]  ( 123 min )

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Hello, I am a school teacher and we are talking a bit about AI now. I have told them about the concept of fake people being generated by AI and creation of non-existent people. I was wondering if there was any online apps (free) that one could feed images to that will aid in the detection of whether the people are real or the image is generated by a GAN? Thanks for your help! submitted by /u/Leprechan_Sushi [link] [comments]  ( 114 min )

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I am confused about the concepts of anchor boxes. An object detection model tries to estimate the location of the detected object in the frame. With anchor boxes, this is done at different aspect ratios and scale. My confusion lies in the fact that these are regression problems. So if we set up anchor box coordinates initially, and the model predicts 4 points for each anchor box (x,y,height,width), how is the aspect ratio of the anchor box maintained? Wouldn't the coordinate values in the output layer change with training? How then would the aspect ratio be maintained? ​ Edit: grammar submitted by /u/Conscious_Forever_92 [link] [comments]  ( 107 min )

I would like to learn about reinforcement leanring in the context of robotics. I already have a good background in robotics modelling, kinematics, ROS, Webots, and deep learning for computer vision. Any material (video, tutorial, books, library) to advise given my background ? What do you think about IsaacSim tutorial from Nvidia ? This environment seems promising to me. submitted by /u/Remet0n [link] [comments]  ( 123 min )

I am looking for a RL Agent Library like stable baseline3 or keras-rl2 to process a graph defined by the gym library. Gym offers the possibility to define a graph space (space.graph) as action_space or observation_space. Sadly I cannot find a library that uses it for agent training. Did someone came across the same problem? submitted by /u/un_defined2020 [link] [comments]  ( 117 min )

Using gradio. The code is quite simple: from transformers import pipeline import gradio as gr model = pipeline( "summarization") def predict(prompt): summary = model(prompt)[0]["summary_text"] return summary create an interface for the model with gr.Interface(predict, "textbox", "text") as interface: interface.launch() Thoughts? submitted by /u/alejandrobrega [link] [comments]  ( 122 min )

Paper: https://arxiv.org/abs/2210.11416 Github: https://github.com/google-research/t5x/blob/main/docs/models.md#flan-t5-checkpoints Abstract: Finetuning language models on a collection of datasets phrased as instructions has been shown to improve model performance and generalization to unseen tasks. In this paper we explore instruction finetuning with a particular focus on (1) scaling the number of tasks, (2) scaling the model size, and (3) finetuning on chain-of-thought data. We find that instruction finetuning with the above aspects dramatically improves performance on a variety of model classes (PaLM, T5, U-PaLM), prompting setups (zero-shot, few-shot, CoT), and evaluation benchmarks (MMLU, BBH, TyDiQA, MGSM, open-ended generation). For instance, Flan-PaLM 540B instruction-finetuned on 1.8K tasks outperforms PALM 540B by a large margin (+9.4% on average). Flan-PaLM 540B achieves state-of-the-art performance on several benchmarks, such as 75.2% on five-shot MMLU. We also publicly release Flan-T5 checkpoints, which achieve strong few-shot performance even compared to much larger models, such as PaLM 62B. Overall, instruction finetuning is a general method for improving the performance and usability of pretrained language models. https://preview.redd.it/xazwmswbb8v91.jpg?width=1593&format=pjpg&auto=webp&s=2eab22e36819a6ba6117c552b9620271ad8cc51c https://preview.redd.it/xeovsswbb8v91.jpg?width=1392&format=pjpg&auto=webp&s=58355bc00ba17a78551fa43e2453b66ffd8659e4 https://preview.redd.it/xvpmc1xbb8v91.jpg?width=1040&format=pjpg&auto=webp&s=2725e0d263d2183f14ad53f6a1006a3488ba9f1c https://preview.redd.it/ylqzw0xbb8v91.jpg?width=1145&format=pjpg&auto=webp&s=6a40ba4551821215dcf06d9ecdee9ac2b569995e https://preview.redd.it/nf3kerwbb8v91.jpg?width=1149&format=pjpg&auto=webp&s=f28750ca5db60c3df295988d77c59f3c00651b55 submitted by /u/Singularian2501 [link] [comments]  ( 123 min )

Hello, While doing some tests, I saw that XGBOOST is way better than a multilayer NN classifier for classifcation. So I thought that first training a CNN/Transformer as a backbone with a "normale" classifier as a head for any classfication/regression task then freezing the backbone and training an XGBOOST for classfication is a good Idea. But none of the new papers do that and they all tend to use a linear/multiplayer NN classifier. Anyone know why ? Thanks ! submitted by /u/MichelMED10 [link] [comments]  ( 124 min )

One-hot-encoding is a popular method for encoding categories due to its simplicity and interpretability. Interpretability also makes it compatible method for simple machine learning algorithms (such as polynomial regression, which, yes, I classify as AI). Nonetheless, there are alternatives, such as base-n encoding which I find an appealing idea. However, I am not sure what method of encoding neural networks prefer. What is your advice? Should you prefer one-hot encoding, base-n encoding (and which n should you choose), or some other method? submitted by /u/Thijs-vW [link] [comments]  ( 121 min )

My writing process is a constant back and forth between jotting down a few words and a [insert] placeholder, as in the "I'll-complete-that-sentence-later-once-I-remember-the-correct-word" note. So, I built phraisely. It is a reverse thesaurus: you input a detailed description, and the model returns its best guesses. Compared to the existing solutions for this task, phraisely attempts to better understand the full context in your query, making it more accurate when looking up words using long descriptions. For example, if I search for "being home at night watching Netflix on the couch", results can contain "relaxing" and "unwinding" but also "binge-watching" since I mentioned Netflix. Bonus points when I get some slang in the results (e.g. couch-potatoing). [see pic below] The aim is to have an assistant that writes with you. But it doesn't do it for you. Overall, I believe that writing is a frustrating process. Frustration stimulates creativity. And creativity is precious. It is the first functioning version of the app. I'm regularly reviewing the output's quality and am working on tailoring it better to user needs. Also, my long term plan would be introducing languages other than English in the results. Although, the language model can already understand some input text from other common languages, like Spanish. You can have a play around at: https://phraisely.com/. It's free. Comments and suggestions are welcome. Thank you. --- Example Example submitted by /u/phraisely [link] [comments]  ( 128 min )

Here is a podcast episode with Hattie Zhou where we discuss iterative learning, The Lottery Ticket Hypothesis, their paper on fortuitous forgetting, and much more! submitted by /u/thejashGI [link] [comments]  ( 122 min )

Hi, I was wondering what would be the must-read papers if one wants to get familiar with Curriculum learning literature? Thanks! submitted by /u/celviofos [link] [comments]  ( 127 min )

While reading a recent DeepMind paper on an economic game: https://www.deepmind.com/blog/human-centred-mechanism-design-with-democratic-ai https://www.nature.com/articles/s41562-022-01383-x.pdf I encountered this disclaimer: "Finally, we emphasize that our results do not imply support for a form of ‘AI government’, whereby autonomous agents make policy decisions without human intervention" It is obvious we want some human oversight. Still, optimizing our societal policies seems to me one of the most promising positive transformations the ML could bring about, much better than a new phone assistant. There are known promising approaches, for example, to reducing the poverty and inequality. Things like restructuring the social safety nets, labor laws, tax codes, etc. Perhaps ML could help with some of them: https://talkpoverty.org/2015/06/10/solutions-economic-inequality/ ML research centers want to make an impact in society. For example, Demis Hassabis of DeepMind said he had a list of 1,000 promising scientific problems he wanted to approach with ML, in hope of making a Nobel-grade discovery one day. Does any ML company, agency, conference, or forum pursue the policy-making applications specifically? When would you estimate we might see major changes in social policies caused by ML? I would bet this does not require AGI in the strong sense, so might be possible relatively soon, if there is political will, funding, and interest. And there should be, as the first country to embrace this accelerated optimization should see some major economic advantages. submitted by /u/valdanylchuk [link] [comments]  ( 125 min )

I have a classification task (e.g., MNIST digits classification). I want to evaluate its performance (inference) with the presence of noise on each layer's inputs and weights (due to hardware problems). Are there any methods applicable for my case ? Or should I just sample the noises and run multiple inferences ? Thanks for reading ! submitted by /u/mad_alim [link] [comments]  ( 121 min )

Hi, I'd like to share a human segmentation toolkit called PP-Humanseg. This toolkit has: A large-scale video portrait dataset that contains 291 videos from 23 conference scenes with 14K frames; A portrait segmentation model that achieves SOTA performance on mobile phone (mIoU 96.63%, 63 FPS); Several human segmentation models well-trained for real scene. Github: https://github.com/PaddlePaddle/PaddleSeg/tree/release/2.6/contrib/PP-HumanSeg ​ https://i.redd.it/dgesfn6jr4v91.gif submitted by /u/EldDap [link] [comments]  ( 123 min )

Hi folks, My paper was accepted as a poster in one of NeurIPS's workshops. Will the paper be available in the NeurIPS 2022 main proceedings? submitted by /u/Alternative-File-146 [link] [comments]  ( 121 min )

Are there any actually good blogs on machine learning that are actually accurate? It's amazing how the first google hits can be total trash. take this article for example: https://machinelearningmastery.com/roc-curves-and-precision-recall-curves-for-classification-in-python/ This is full of nonsense - "ROC curves are appropriate when the observations are balanced between each class, whereas precision-recall curves are appropriate for imbalanced datasets" Anyone who has actually worked with ML will know that the above statement is blatantly not true! it's amazing that such a blog manages to come up so often in google hits... Is there anything better out there? submitted by /u/likeamanyfacedgod [link] [comments]  ( 132 min )

Hi. I'm currently performing text classification on sequences of text that contain two languages: English and my own native language. I'm running experiments using mBERT and BERT for the sake of comparison, but noticed that BERT's performance is actually roughly the same as mBERT. This was a little counterintuitive to me because, with the data being more than English, I assumed that BERT wouldn't be able to properly "understand" the text. I've tried taking a look at how many of the tokenized results are [UNK] for each, and also noticed that of all the tokens in the dataset, mBERT produces [UNK] for around 46% and BERT 52%. It was also surprisingly high for mBERT, but I think that a 6% difference is large enough to not be able to justify equal performance. Does anybody know why this may be happening or in what direction I should investigate this? I'd like to figure out how or why the performance could be roughly equal. submitted by /u/Seankala [link] [comments]  ( 125 min )

Found this interesting paper modeling a discrimintive task using a diffusion model. I wonder if we can do the same for automatic speech recognition (ASR). https://arxiv.org/abs/2210.05148 submitted by /u/athrun200 [link] [comments]  ( 122 min )

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I just also want to know how someone can believe that this thing is real. There's literally 5 different youtube channels doing the same thing and wanted to know what the engine they're using is. ​ youtube video: He Mastered All Elements And Overpowered The Gods - YouTube submitted by /u/stive52 [link] [comments]  ( 115 min )

The Biden administration has launched a new workforce development funding program to help people, including those at community colleges, gain skills for emerging jobs in fields like AI, biotechnology, quantum science and new areas of advanced manufacturing and semiconductor. Forbes article talks about how the program could scale AI education at new education and training providers where its not currently common like community colleges. Talks about Intel's work to get AI at community colleges in all 50 states by next year https://www.forbes.com/sites/shalinjyotishi/2022/10/20/biden-administration-launches-new-workforce-program-for-emerging-technology-jobs submitted by /u/WorkforceWonk [link] [comments]  ( 116 min )

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I am working on emotion recognition through EEG signals. We have decided to use MUSE 2 EEG headband to collect EEG signals. I wanted to ask if I can use DEAP, DREAMER, or other datasets to train my model. Can MUSE 2 give the data which these datasets have? Most of the datasets on the internet have used 32-channel or 16-channel headsets while MUSE 2 is 4-channel. Also, Can anyone give my public-accessible dataset site links so I can download datasets from there? Is there someone experienced in this field who can help me?? It would be much appreciated. Thank You submitted by /u/D3Fuhrer [link] [comments]  ( 115 min )

Here is a podcast episode with Hattie Zhou where we discuss iterative learning, The Lottery Ticket Hypothesis, their paper on fortuitous forgetting, and much more! submitted by /u/thejashGI [link] [comments]  ( 115 min )

I'm looking for the best NLP Specialization. I have done the Deep Learning Specialization from Deep learning AI, and since I really got into NLP and sequence models I would like to do a follow-up course. I checked Natural Language Processing Specialization also from Deep learning AI, but it seems to have mixed reviews. Some say it is a good specialization, while others have a very strong opinion that it isn't. My question is has anyone done some NLP specialization and where? Do you have any recommendations? And in your opinion what is the best NLP specialization out there? Thanks in advance! submitted by /u/mr_house7 [link] [comments]  ( 115 min )

Whenever AI is discussed the main topics are unemployment, ethics, out of control AI. These are real concerns but let us assume for a moment that these problems are solvable. The big elephant in the room is the concern of human usefulness. What does it mean when the human race is longer useful? How do we deal with long term profession planning, for you or your kids? You invest a decade becoming an illustrator. Now AI can do it better. Your investment is now worth nothing. You may take this lightly because it has not affected you yet but this is a question beyond a certain profession. submitted by /u/brishtesi [link] [comments]  ( 117 min )

Hi, I'd like to introduce EISeg , an efficient and interactive tool for segmentation annotation. Hope this be some help for you 😀 Main Features: You only need several clicks to finish annotation, improving the efficiency by 10 times Support image and video as inputs Provide specialized models for better performance , such as portrait, remote sensing, medical treatment, etc Open-source, easy-to-use and powerful Download: https://github.com/PaddlePaddle/PaddleSeg/tree/release/2.6/EISeg Technical article: https://arxiv.org/abs/2210.08788 https://i.redd.it/1stngunj55v91.gif submitted by /u/Effective_Tax_2096 [link] [comments]  ( 119 min )

What if the cold war became nuclear? He smiles again, and then quickly draws his arms around himself. "It's worse than this," he says. "I mean, what if we couldn't control it at all?" But things have changed dramatically since 1984. The Soviet Union is now in a state of turmoil. Once again the cold war has begun, with Russia struggling to hold its grip on its nuclear arsenal. The Cold War never ended, but instead morphed into a nightmare. War is coming closer, more easily than ever before. Media in the West see the new nuclear arms race as a political issue, about how long the West can sustain an arms race that goes on indefinitely. But Russia sees it much differently: It sees a war that begins one day. It might not seem that bad. But on the day it begins, the Soviets say they'll have e…  ( 125 min )

Hey any recommendations for ML and AI. There are so many online, all different costs. I’m not sure if it better just because it’s more expensive. I don’t have many people around me so difficult to find some suggestions from someone I know. Any recommendations would be great. I studied architecture and I’m looking to learn more about ML and how this can develop the built environment! Thanks submitted by /u/CosmicKKKelly [link] [comments]  ( 118 min )

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Hello there, I hope you all are doing well. I am AI research Engineer who has been working in the AI industry for almost two years now. I am also a Teacher Assistant at the university I graduated from. I had lots of work in NLP and some in CV, but quite a few in RL. Therefore, I want to push myself and work in the research field, specifically in RL. I will attach my Resume here. So that if you are interested in having strong soul, hard working guys in your team, please let me know! submitted by /u/AI-Ahmed [link] [comments]  ( 116 min )

How to define an action space in a gym environment where the agent´s output is a tensor of shape [1,25]? submitted by /u/SathyaSudha_Murugan [link] [comments]  ( 119 min )

Hello everyone! I am a last year master's student in CS interested in RL, but without any practical/research experience in this field (only theoretical courses from my University). Since I would like to dive into this field (maybe to continue later with a PhD), I am searching for a Research Internship to understand if this field is really for me, in Universities research labs or companies (but the latter are more easily findable I guess). Are you aware of any University research lab that offers summer internships or internships in general (around period of Summer 2023)? I would like to underline that I might be graduated at that time, so without the status of "student". Thank you very much in advance for your time. ​ EDIT: add period of interest submitted by /u/Dear-Vehicle-3215 [link] [comments]  ( 119 min )

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Last night I was reading a paper by the late Russian mathematician V. I. Arnold “Polymathematics: is mathematics a single science or a set of arts?” and posted a lightly edited extract of it on Twitter. It begins All mathematics is divided into three parts: cryptography, hydrodynamics, and celestial mechanics. Arnold is alluding to the […] Cryptography, hydrodynamics, and celestial mechanics first appeared on John D. Cook.  ( 6 min )

Suppose you’ve typed a long command and you need to rerun it with a small modification. Say you need to replace foo with bar. Bash will let you do this with ^foo^bar^. And although you’re supposed to put the final caret on the end, it will let you get by without it. $ echo foo […] Repeat shell command replacing a word first appeared on John D. Cook.  ( 5 min )

So, I'm just now starting to learn how neural networks work, I'm following a series on YouTube on how to do one in Python. The tutorial compared the neuron's basic function of taking the input, multiplying it by the corresponding weight, and adding a bias to y = mx + b, the standard linear function formula. And that got me thinking... for more complex problems would you ever want to change the model to have a polynomial-based formula? Like input^exponent + input * weight + bias? Where exponent is another variable, alongside weight and bias, that would be dialed in during the learning process. Or would that complicate things too much and the linear formula would be better? submitted by /u/GABE_EDD [link] [comments]  ( 108 min )

Graph Neural Networks (GNNs) have been predominant for graph learning tasks; however, recent studies showed that a well-known graph algorithm, Label Propagation (LP), combined with a shallow neural network can achieve comparable performance to GNNs in semi-supervised node classification on graphs with high homophily. In this paper, we show that this approach falls short on graphs with low homophily, where nodes often connect to the nodes of the opposite classes. To overcome this, we carefully design a combination of a base predictor with LP algorithm that enjoys a closed-form solution as well as convergence guarantees. Our algorithm first learns the class compatibility matrix and then aggregates label predictions using LP algorithm weighted by class compatibilities. On a wide variety of benchmarks, we show that our approach achieves the leading performance on graphs with various levels of homophily. Meanwhile, it has orders of magnitude fewer parameters and requires less execution time. Empirical evaluations demonstrate that simple adaptations of LP can be competitive in semi-supervised node classification in both homophily and heterophily regimes.

While vision-language pre-training model (VLP) has shown revolutionary improvements on various vision-language (V+L) tasks, the studies regarding its adversarial robustness remain largely unexplored. This paper studied the adversarial attack on popular VLP models and V+L tasks. First, we analyzed the performance of adversarial attacks under different settings. By examining the influence of different perturbed objects and attack targets, we concluded some key observations as guidance on both designing strong multimodal adversarial attack and constructing robust VLP models. Second, we proposed a novel multimodal attack method on the VLP models called Collaborative Multimodal Adversarial Attack (Co-Attack), which collectively carries out the attacks on the image modality and the text modality. Experimental results demonstrated that the proposed method achieves improved attack performances on different V+L downstream tasks and VLP models. The analysis observations and novel attack method hopefully provide new understanding into the adversarial robustness of VLP models, so as to contribute their safe and reliable deployment in more real-world scenarios. Code is available at https://github.com/adversarial-for-goodness/Co-Attack.

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle to balance between resisting the oversmoothing that may occur in deep models, and capturing long-range dependencies of graph structured data. Moreover, the complexity of this trade-off is compounded in the heterogeneous graph case due to the disparate heterophily relationships between nodes of different types. To address these issues, we propose a novel heterogeneous GNN architecture in which layers are derived from optimization steps that descend a novel relation-aware energy function. The corresponding minimizer is fully differentiable with respect to the energy function parameters, such that bilevel optimization can be applied to effectively learn a functional form whose minimum provides optimal node representations for subsequent classification tasks. In particular, this methodology allows us to model diverse heterophily relationships between different node types while avoiding oversmoothing effects. Experimental results on 8 heterogeneous graph benchmarks demonstrates that our proposed method can achieve competitive node classification accuracy

In this paper, we aim to design a quantitative similarity function between two neural architectures. Specifically, we define a model similarity using input gradient transferability. We generate adversarial samples of two networks and measure the average accuracy of the networks on adversarial samples of each other. If two networks are highly correlated, then the attack transferability will be high, resulting in high similarity. Using the similarity score, we investigate two topics: (1) Which network component contributes to the model diversity? (2) How does model diversity affect practical scenarios? We answer the first question by providing feature importance analysis and clustering analysis. The second question is validated by two different scenarios: model ensemble and knowledge distillation. Our findings show that model diversity takes a key role when interacting with different neural architectures. For example, we found that more diversity leads to better ensemble performance. We also observe that the relationship between teacher and student networks and distillation performance depends on the choice of the base architecture of the teacher and student networks. We expect our analysis tool helps a high-level understanding of differences between various neural architectures as well as practical guidance when using multiple architectures.

We give an efficient algorithm that recovers the distribution of a non-interacting fermion state over the standard basis, given measurements in additional bases. For a system of $n$ non-interacting fermions and $m$ modes, we show that $O(m^2 n^2 \log(1/\delta) / \epsilon^2)$ copies of the input state and $O(m^3 n^2 \log(1/\delta)/ \epsilon^2)$ time are sufficient to learn the original distribution to total variation distance $\epsilon$ with probability at least $1 - \delta$. Our algorithm empirically estimates one-mode correlations in $O(m)$ different measurement bases and uses them to reconstruct a succinct description of the entire distribution efficiently.

We study the generalization abilities of language models when translating natural language into formal specifications with complex semantics. In particular, we fine-tune language models on three datasets consisting of English sentences and their corresponding formal representation: 1) regular expressions (regex), frequently used in programming and search; 2) First-order logic (FOL), commonly used in software verification and theorem proving; and 3) linear-time temporal logic (LTL), which forms the basis for industrial hardware specification languages. Our experiments show that, in these diverse domains, the language models maintain their generalization capabilities from pre-trained knowledge of natural language to generalize, e.g., to new variable names or operator descriptions. Additionally, they achieve competitive performance, and even outperform the state-of-the-art for translating into regular expressions, with the benefits of being easy to access, efficient to fine-tune, and without a particular need for domain-specific reasoning.

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and vision. Existing DNLS implementations are application specific and do not always incorporate many ingredients important for efficiency. Theseus is application-agnostic, as we illustrate with several example applications that are built using the same underlying differentiable components, such as second-order optimizers, standard costs functions, and Lie groups. For efficiency, Theseus incorporates support for sparse solvers, automatic vectorization, batching, GPU acceleration, and gradient computation with implicit differentiation and direct loss minimization. We do extensive performance evaluation in a set of applications, demonstrating significant efficiency gains and better scalability when these features are incorporated. Project page: https://sites.google.com/view/theseus-ai

Molecular photoswitches are the foundation of light-activated drugs. A key photoswitch is azobenzene, which exhibits trans-cis isomerism in response to light. The thermal half-life of the cis isomer is of crucial importance, since it controls the duration of the light-induced biological effect. Here we introduce a computational tool for predicting the thermal half-lives of azobenzene derivatives. Our automated approach uses a fast and accurate machine learning potential trained on quantum chemistry data. Building on well-established earlier evidence, we argue that thermal isomerization proceeds through rotation mediated by intersystem crossing, and incorporate this mechanism into our automated workflow. We use our approach to predict the thermal half-lives of 19,000 azobenzene derivatives. We explore trends and tradeoffs between barriers and absorption wavelengths, and open-source our data and software to accelerate research in photopharmacology.

The rawly collected training data often comes with separate noisy labels collected from multiple imperfect annotators (e.g., via crowdsourcing). A typical way of using these separate labels is to first aggregate them into one and apply standard training methods. The literature has also studied extensively on effective aggregation approaches. This paper revisits this choice and aims to provide an answer to the question of whether one should aggregate separate noisy labels into single ones or use them separately as given. We theoretically analyze the performance of both approaches under the empirical risk minimization framework for a number of popular loss functions, including the ones designed specifically for the problem of learning with noisy labels. Our theorems conclude that label separation is preferred over label aggregation when the noise rates are high, or the number of labelers/annotations is insufficient. Extensive empirical results validate our conclusions.

Current Natural Language Inference (NLI) models achieve impressive results, sometimes outperforming humans when evaluating on in-distribution test sets. However, as these models are known to learn from annotation artefacts and dataset biases, it is unclear to what extent the models are learning the task of NLI instead of learning from shallow heuristics in their training data. We address this issue by introducing a logical reasoning framework for NLI, creating highly transparent model decisions that are based on logical rules. Unlike prior work, we show that improved interpretability can be achieved without decreasing the predictive accuracy. We almost fully retain performance on SNLI, while also identifying the exact hypothesis spans that are responsible for each model prediction. Using the e-SNLI human explanations, we verify that our model makes sensible decisions at a span level, despite not using any span labels during training. We can further improve model performance and span-level decisions by using the e-SNLI explanations during training. Finally, our model is more robust in a reduced data setting. When training with only 1,000 examples, out-of-distribution performance improves on the MNLI matched and mismatched validation sets by 13% and 16% relative to the baseline. Training with fewer observations yields further improvements, both in-distribution and out-of-distribution.

Graph neural networks (GNNs) have shown superiority in many prediction tasks over graphs due to their impressive capability of capturing nonlinear relations in graph-structured data. However, for node classification tasks, often, only marginal improvement of GNNs over their linear counterparts has been observed. Previous works provide very few understandings of this phenomenon. In this work, we resort to Bayesian learning to deeply investigate the functions of non-linearity in GNNs for node classification tasks. Given a graph generated from the statistical model CSBM, we observe that the max-a-posterior estimation of a node label given its own and neighbors' attributes consists of two types of non-linearity, a possibly non-linear transformation of node attributes and a ReLU-activated feature aggregation from neighbors. The latter surprisingly matches the type of non-linearity used in many GNN models. By further imposing Gaussian assumption on node attributes, we prove that the superiority of those ReLU activations is only significant when the node attributes are far more informative than the graph structure, which nicely matches many previous empirical observations. A similar argument can be achieved when there is a distribution shift of node attributes between the training and testing datasets. Finally, we verify our theory on both synthetic and real-world networks.

Federated Learning (FL) is a distributed machine learning paradigm that enables learning models from decentralized private datasets, where the labeling effort is entrusted to the clients. While most existing FL approaches assume high-quality labels are readily available on users' devices; in reality, label noise can naturally occur in FL and follows a non-i.i.d. distribution among clients. Due to the non-iid-ness challenges, existing state-of-the-art centralized approaches exhibit unsatisfactory performance, while previous FL studies rely on data exchange or repeated server-side aid to improve model's performance. Here, we propose FedLN, a framework to deal with label noise across different FL training stages; namely, FL initialization, on-device model training, and server model aggregation. Specifically, FedLN computes per-client noise-level estimation in a single federated round and improves the models' performance by correcting (or limiting the effect of) noisy samples. Extensive experiments on various publicly available vision and audio datasets demonstrate a 24% improvement on average compared to other existing methods for a label noise level of 70%. We further validate the efficiency of FedLN in human-annotated real-world noisy datasets and report a 9% increase on average in models' recognition rate, highlighting that FedLN can be useful for improving FL services provided to everyday users.

The task of ranking individuals or teams, based on a set of comparisons between pairs, arises in various contexts, including sporting competitions and the analysis of dominance hierarchies among animals and humans. Given data on which competitors beat which others, the challenge is to rank the competitors from best to worst. Here we study the problem of computing rankings when there are multiple, potentially conflicting modes of comparison, such as multiple types of dominance behaviors among animals. We assume that we do not know a priori what information each behavior conveys about the ranking, or even whether they convey any information at all. Nonetheless we show that it is possible to compute a ranking in this situation and present a fast method for doing so, based on a combination of an expectation-maximization algorithm and a modified Bradley-Terry model. We give a selection of example applications to both animal and human competition.

We introduce MOVE, a novel method to segment objects without any form of supervision. MOVE exploits the fact that foreground objects can be shifted locally relative to their initial position and result in realistic (undistorted) new images. This property allows us to train a segmentation model on a dataset of images without annotation and to achieve state of the art (SotA) performance on several evaluation datasets for unsupervised salient object detection and segmentation. In unsupervised single object discovery, MOVE gives an average CorLoc improvement of 7.2% over the SotA, and in unsupervised class-agnostic object detection it gives a relative AP improvement of 53% on average. Our approach is built on top of self-supervised features (e.g. from DINO or MAE), an inpainting network (based on the Masked AutoEncoder) and adversarial training.

In this paper, we propose Dual Image and Video Transformer Architecture (DIViTA) for multi-label movie trailer genre classification. DIViTA performs an input adaption stage that uses shot detection to segment the trailer into highly correlated clips, providing a more cohesive input that allows to leverage pretrained ImageNet and/or Kinetics backbones. We introduce Trailers12k, a movie trailer dataset with manually verified title-trailer pairs, and present a transferability study of representations learned from ImageNet and Kinetics to Trailers12k. Our results show that DIViTA can reduce the gap between the spatio-temporal structure of the source and target datasets, thus improving transferability. Moreover, representations learned on either ImageNet or Kinetics are comparatively transferable to Trailers12k, although they provide complementary information that can be combined to improve classification performance. Interestingly, pretrained lightweight ConvNets provide competitive classification performance, while using a fraction of the computing resources compared to heavier ConvNets and Transformers.

Nuclear fusion represents one of the best alternatives for a sustainable source of clean energy. Tokamaks allow to confine fusion plasma with magnetic fields and one of the main challenges in the control of the magnetic configuration is the prediction/reconstruction of the Last Closed-Flux Surface (LCFS). The evolution in time of the LCFS is determined by the interaction of the actuator coils and the internal tokamak plasma. This task requires real-time capable tools able to deal with high-dimensional data as well as with high resolution in time, where the interaction between a wide range of input actuator coils with internal plasma state responses add additional layer of complexity. In this work, we present the application of a novel state of the art machine learning model to the LCFS reconstruction in the Experimental Advanced Superconducting Tokamak (EAST) that learns automatically from the experimental data of EAST. This architecture allows not only offline simulation and testing of a particular control strategy, but can also be embedded in the real-time control system for online magnetic equilibrium reconstruction and prediction. In the real-time modeling test, our approach achieves very high accuracies, with over 99% average similarity in LCFS reconstruction of the entire discharge process.

Among different existing graph self-supervised learning strategies, graph contrastive learning (GCL) has been one of the most prevalent approaches to this problem. Despite the remarkable performance those GCL methods have achieved, existing GCL methods that heavily depend on various manually designed augmentation techniques still struggle to alleviate the feature suppression issue without risking losing task-relevant information. Consequently, the learned representation is either brittle or unilluminating. In light of this, we introduce the Graph Contrastive Learning with Cross-View Reconstruction (GraphCV), which follows the information bottleneck principle to learn minimal yet sufficient representation from graph data. Specifically, GraphCV aims to elicit the predictive (useful for downstream instance discrimination) and other non-predictive features separately. Except for the conventional contrastive loss which guarantees the consistency and sufficiency of the representation across different augmentation views, we introduce a cross-view reconstruction mechanism to pursue the disentanglement of the two learned representations. Besides, an adversarial view perturbed from the original view is added as the third view for the contrastive loss to guarantee the intactness of the global semantics and improve the representation robustness. We empirically demonstrate that our proposed model outperforms the state-of-the-art on graph classification task over multiple benchmark datasets.

Recently used in various machine learning contexts, the Gromov-Wasserstein distance (GW) allows for comparing distributions whose supports do not necessarily lie in the same metric space. However, this Optimal Transport (OT) distance requires solving a complex non convex quadratic program which is most of the time very costly both in time and memory. Contrary to GW, the Wasserstein distance (W) enjoys several properties (e.g. duality) that permit large scale optimization. Among those, the solution of W on the real line, that only requires sorting discrete samples in 1D, allows defining the Sliced Wasserstein (SW) distance. This paper proposes a new divergence based on GW akin to SW. We first derive a closed form for GW when dealing with 1D distributions, based on a new result for the related quadratic assignment problem. We then define a novel OT discrepancy that can deal with large scale distributions via a slicing approach and we show how it relates to the GW distance while being $O(n\log(n))$ to compute. We illustrate the behavior of this so called Sliced Gromov-Wasserstein (SGW) discrepancy in experiments where we demonstrate its ability to tackle similar problems as GW while being several order of magnitudes faster to compute.

Transfer learning (TL) from pretrained deep models is a standard practice in modern medical image classification (MIC). However, what levels of features to be reused are problem-dependent, and uniformly finetuning all layers of pretrained models may be suboptimal. This insight has partly motivated the recent \emph{differential} TL strategies, such as TransFusion (TF) and layer-wise finetuning (LWFT), which treat the layers in the pretrained models differentially. In this paper, we add one more strategy into this family, called \emph{TruncatedTL}, which reuses and finetunes appropriate bottom layers and directly discards the remaining layers. This yields not only superior MIC performance but also compact models for efficient inference, compared to other differential TL methods. We validate the performance and model efficiency of TruncatedTL on three MIC tasks covering both 2D and 3D images. For example, on the BIMCV COVID-19 classification dataset, we obtain improved performance with around $1/4$ model size and $2/3$ inference time compared to the standard full TL model. Code is available at https://github.com/sun-umn/Transfer-Learning-in-Medical-Imaging.

In the past few years, graph neural networks (GNNs) have become the de facto model of choice for graph classification. While, from the theoretical viewpoint, most GNNs can operate on graphs of any size, it is empirically observed that their classification performance degrades when they are applied on graphs with sizes that differ from those in the training data. Previous works have tried to tackle this issue in graph classification by providing the model with inductive biases derived from assumptions on the generative process of the graphs, or by requiring access to graphs from the test domain. The first strategy is tied to the quality of the assumptions made for the generative process, and requires the use of specific models designed after the explicit definition of the generative process of the data, leaving open the question of how to improve the performance of generic GNN models in general settings. On the other hand, the second strategy can be applied to any GNN, but requires access to information that is not always easy to obtain. In this work we consider the scenario in which we only have access to the training data, and we propose a regularization strategy that can be applied to any GNN to improve its generalization capabilities from smaller to larger graphs without requiring access to the test data. Our regularization is based on the idea of simulating a shift in the size of the training graphs using coarsening techniques, and enforcing the model to be robust to such a shift. Experimental results on standard datasets show that popular GNN models, trained on the 50% smallest graphs in the dataset and tested on the 10% largest graphs, obtain performance improvements of up to 30% when trained with our regularization strategy.

We develop an algorithmic framework for solving convex optimization problems using no-regret game dynamics. By converting the problem of minimizing a convex function into an auxiliary problem of solving a min-max game in a sequential fashion, we can consider a range of strategies for each of the two-players who must select their actions one after the other. A common choice for these strategies are so-called no-regret learning algorithms, and we describe a number of such and prove bounds on their regret. We then show that many classical first-order methods for convex optimization -- including average-iterate gradient descent, the Frank-Wolfe algorithm, the Heavy Ball algorithm, and Nesterov's acceleration methods -- can be interpreted as special cases of our framework as long as each player makes the correct choice of no-regret strategy. Proving convergence rates in this framework becomes very straightforward, as they follow from plugging in the appropriate known regret bounds. Our framework also gives rise to a number of new first-order methods for special cases of convex optimization that were not previously known.

Learning policies via preference-based reward learning is an increasingly popular method for customizing agent behavior, but has been shown anecdotally to be prone to spurious correlations and reward hacking behaviors. While much prior work focuses on causal confusion in reinforcement learning and behavioral cloning, we aim to study it in the context of reward learning. To study causal confusion, we perform a series of sensitivity and ablation analyses on three benchmark domains where rewards learned from preferences achieve minimal test error but fail to generalize to out-of-distribution states -- resulting in poor policy performance when optimized. We find that the presence of non-causal distractor features, noise in the stated preferences, partial state observability, and larger model capacity can all exacerbate causal confusion. We also identify a set of methods with which to interpret causally confused learned rewards: we observe that optimizing causally confused rewards drives the policy off the reward's training distribution, resulting in high predicted (learned) rewards but low true rewards. These findings illuminate the susceptibility of reward learning to causal confusion, especially in high-dimensional environments -- failure to consider even one of many factors (data coverage, state definition, etc.) can quickly result in unexpected, undesirable behavior.

Decentralized optimization is increasingly popular in machine learning for its scalability and efficiency. Intuitively, it should also provide better privacy guarantees, as nodes only observe the messages sent by their neighbors in the network graph. But formalizing and quantifying this gain is challenging: existing results are typically limited to Local Differential Privacy (LDP) guarantees that overlook the advantages of decentralization. In this work, we introduce pairwise network differential privacy, a relaxation of LDP that captures the fact that the privacy leakage from a node $u$ to a node $v$ may depend on their relative position in the graph. We then analyze the combination of local noise injection with (simple or randomized) gossip averaging protocols on fixed and random communication graphs. We also derive a differentially private decentralized optimization algorithm that alternates between local gradient descent steps and gossip averaging. Our results show that our algorithms amplify privacy guarantees as a function of the distance between nodes in the graph, matching the privacy-utility trade-off of the trusted curator, up to factors that explicitly depend on the graph topology. Finally, we illustrate our privacy gains with experiments on synthetic and real-world datasets.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

The number of states in a dynamic process is exponential in the number of objects, making reinforcement learning (RL) difficult in complex, multi-object domains. For agents to scale to the real world, they will need to react to and reason about unseen combinations of objects. We argue that the ability to recognize and use local factorization in transition dynamics is a key element in unlocking the power of multi-object reasoning. To this end, we show that (1) known local structure in the environment transitions is sufficient for an exponential reduction in the sample complexity of training a dynamics model, and (2) a locally factored dynamics model provably generalizes out-of-distribution to unseen states and actions. Knowing the local structure also allows us to predict which unseen states and actions this dynamics model will generalize to. We propose to leverage these observations in a novel Model-based Counterfactual Data Augmentation (MoCoDA) framework. MoCoDA applies a learned locally factored dynamics model to an augmented distribution of states and actions to generate counterfactual transitions for RL. MoCoDA works with a broader set of local structures than prior work and allows for direct control over the augmented training distribution. We show that MoCoDA enables RL agents to learn policies that generalize to unseen states and actions. We use MoCoDA to train an offline RL agent to solve an out-of-distribution robotics manipulation task on which standard offline RL algorithms fail.

Deep learning has become the dominant approach in coping with various tasks in Natural LanguageProcessing (NLP). Although text inputs are typically represented as a sequence of tokens, there isa rich variety of NLP problems that can be best expressed with a graph structure. As a result, thereis a surge of interests in developing new deep learning techniques on graphs for a large numberof NLP tasks. In this survey, we present a comprehensive overview onGraph Neural Networks(GNNs) for Natural Language Processing. We propose a new taxonomy of GNNs for NLP, whichsystematically organizes existing research of GNNs for NLP along three axes: graph construction,graph representation learning, and graph based encoder-decoder models. We further introducea large number of NLP applications that are exploiting the power of GNNs and summarize thecorresponding benchmark datasets, evaluation metrics, and open-source codes. Finally, we discussvarious outstanding challenges for making the full use of GNNs for NLP as well as future researchdirections. To the best of our knowledge, this is the first comprehensive overview of Graph NeuralNetworks for Natural Language Processing.

Variational quantum algorithms (VQAs) are among the most promising algorithms in the era of Noisy Intermediate Scale Quantum Devices. Such algorithms are constructed using a parameterization U($\pmb{\theta}$) with a classical optimizer that updates the parameters $\pmb{\theta}$ in order to minimize a cost function $C$. For this task, in general the gradient descent method, or one of its variants, is used. This is a method where the circuit parameters are updated iteratively using the cost function gradient. However, several works in the literature have shown that this method suffers from a phenomenon known as the Barren Plateaus (BP). In this work, we propose a new method to mitigate BPs. In general, the parameters $\pmb{\theta}$ used in the parameterization $U$ are randomly generated. In our method they are obtained from a classical neural network (CNN). We show that this method, besides to being able to mitigate BPs during startup, is also able to mitigate the effect of BPs during the VQA training. In addition, we also show how this method behaves for different CNN architectures.

We study the generalisation properties of majority voting on finite ensembles of classifiers, proving margin-based generalisation bounds via the PAC-Bayes theory. These provide state-of-the-art guarantees on a number of classification tasks. Our central results leverage the Dirichlet posteriors studied recently by Zantedeschi et al. [2021] for training voting classifiers; in contrast to that work our bounds apply to non-randomised votes via the use of margins. Our contributions add perspective to the debate on the "margins theory" proposed by Schapire et al. [1998] for the generalisation of ensemble classifiers.

This work focuses on the apparent emotional reaction recognition (AERR) from the video-only input, conducted in a self-supervised fashion. The network is first pre-trained on different self-supervised pretext tasks and later fine-tuned on the downstream target task. Self-supervised learning facilitates the use of pre-trained architectures and larger datasets that might be deemed unfit for the target task and yet might be useful to learn informative representations and hence provide useful initializations for further fine-tuning on smaller more suitable data. Our presented contribution is two-fold: (1) an analysis of different state-of-the-art (SOTA) pretext tasks for the video-only apparent emotional reaction recognition architecture, and (2) an analysis of various combinations of the regression and classification losses that are likely to improve the performance further. Together these two contributions result in the current state-of-the-art performance for the video-only spontaneous apparent emotional reaction recognition with continuous annotations.

This paper proposes a new approach for privacy-preserving and verifiable convolutional neural network (CNN) testing, enabling a CNN model developer to convince a user of the truthful CNN performance over non-public data from multiple testers, while respecting model privacy. To balance the security and efficiency issues, three new efforts are done by appropriately integrating homomorphic encryption (HE) and zero-knowledge succinct non-interactive argument of knowledge (zk-SNARK) primitives with the CNN testing. First, a CNN model to be tested is strategically partitioned into a private part kept locally by the model developer, and a public part outsourced to an outside server. Then, the private part runs over HE-protected test data sent by a tester and transmits its outputs to the public part for accomplishing subsequent computations of the CNN testing. Second, the correctness of the above CNN testing is enforced by generating zk-SNARK based proofs, with an emphasis on optimizing proving overhead for two-dimensional (2-D) convolution operations, since the operations dominate the performance bottleneck during generating proofs. We specifically present a new quadratic matrix programs (QMPs)-based arithmetic circuit with a single multiplication gate for expressing 2-D convolution operations between multiple filters and inputs in a batch manner. Third, we aggregate multiple proofs with respect to a same CNN model but different testers' test data (i.e., different statements) into one proof, and ensure that the validity of the aggregated proof implies the validity of the original multiple proofs. Lastly, our experimental results demonstrate that our QMPs-based zk-SNARK performs nearly 13.9$\times$faster than the existing QAPs-based zk-SNARK in proving time, and 17.6$\times$faster in Setup time, for high-dimension matrix multiplication.

Federated Learning (FL) is a machine learning paradigm that learns from data kept locally to safeguard the privacy of clients, whereas local SGD is typically employed on the clients' devices to improve communication efficiency. However, such a scheme is currently constrained by the slow and unstable convergence induced by clients' heterogeneous data. In this work, we identify three under-explored phenomena of the biased local learning that may explain these challenges caused by local updates in supervised FL. As a remedy, we propose FedDebias, a novel unified algorithm that reduces the local learning bias on features and classifiers to tackle these challenges. FedDebias consists of two components: The first component alleviates the bias in the local classifiers by balancing the output distribution of models. The second component learns client invariant features that are close to global features but considerably distinct from those learned from other input distributions. In a series of experiments, we show that FedDebias consistently outperforms other SOTA FL and domain generalization (DG) baselines, in which both two components have individual performance gains.

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical subtask for these models is to detect Out-of-distribution (OOD) inputs. Given the nature of the deployment environment, one may expect such OOD inputs to also be fine-grained w.r.t. the known classes (e.g., a novel bird species), which are thus extremely difficult to identify. Unfortunately, OOD detection in fine-grained scenarios remains largely underexplored. In this work, we aim to fill this gap by first carefully constructing four large-scale fine-grained test environments, in which existing methods are shown to have difficulties. Particularly, we find that even explicitly incorporating a diverse set of auxiliary outlier data during training does not provide sufficient coverage over the broad region where fine-grained OOD samples locate. We then propose Mixture Outlier Exposure (MixOE), which mixes ID data and training outliers to expand the coverage of different OOD granularities, and trains the model such that the prediction confidence linearly decays as the input transitions from ID to OOD. Extensive experiments and analyses demonstrate the effectiveness of MixOE for building up OOD detector in fine-grained environments. The code is available at https://github.com/zjysteven/MixOE.

We present modality gap, an intriguing geometric phenomenon of the representation space of multi-modal models. Specifically, we show that different data modalities (e.g. images and text) are embedded at arm's length in their shared representation in multi-modal models such as CLIP. Our systematic analysis demonstrates that this gap is caused by a combination of model initialization and contrastive learning optimization. In model initialization, we show empirically and theoretically that the representation of a common deep neural network is restricted to a narrow cone. As a consequence, in a multi-modal model with two encoders, the representations of the two modalities are clearly apart when the model is initialized. During optimization, contrastive learning keeps the different modalities separate by a certain distance, which is influenced by the temperature parameter in the loss function. Our experiments further demonstrate that varying the modality gap distance has a significant impact in improving the model's downstream zero-shot classification performance and fairness. Our code and data are available at https://modalitygap.readthedocs.io/

We consider the problem of quantum state certification, where we are given the description of a mixed state $\sigma \in \mathbb{C}^{d \times d}$, $n$ copies of a mixed state $\rho \in \mathbb{C}^{d \times d}$, and $\varepsilon > 0$, and we are asked to determine whether $\rho = \sigma$ or whether $\| \rho - \sigma \|_1 > \varepsilon$. When $\sigma$ is the maximally mixed state $\frac{1}{d} I_d$, this is known as mixedness testing. We focus on algorithms which use incoherent measurements, i.e. which only measure one copy of $\rho$ at a time. Unlike those that use entangled, multi-copy measurements, these can be implemented without persistent quantum memory and thus represent a large class of protocols that can be run on current or near-term devices. For mixedness testing, there is a folklore algorithm which uses incoherent measurements and only needs $O(d^{3/2} / \varepsilon^2)$ copies. The algorithm is non-adaptive, that is, its measurements are fixed ahead of time, and is known to be optimal for non-adaptive algorithms. However, when the algorithm can make arbitrary incoherent measurements, the best known lower bound is only $\Omega (d^{4/3} / \varepsilon^2)$ [Bubeck-Chen-Li '20], and it has been an outstanding open problem to close this polynomial gap. In this work, 1) we settle the copy complexity of mixedness testing with incoherent measurements and show that $\Omega (d^{3/2} / \varepsilon^2)$ copies are necessary, and 2) we show the instance-optimal bounds for state certification to general $\sigma$ first derived by [Chen-Li-O'Donnell '21] for non-adaptive measurements also hold for arbitrary incoherent measurements. Qualitatively, our results say that adaptivity does not help at all for these problems. Our results are based on new techniques that allow us to reduce the problem to understanding certain matrix martingales, which we believe may be of independent interest.

Deep Reinforcement Learning (DRL) has achieved remarkable success in scenarios such as games and has emerged as a potential solution for control tasks. That is due to its ability to leverage scalability and handle complex dynamics. However, few works have targeted environments grounded in real-world settings. Indeed, real-world scenarios can be challenging, especially when faced with the high dimensionality of the state space and unknown reward function. We release a testbed consisting of an environment simulator and demonstrations of human operation concerning pump scheduling of a real-world water distribution facility to facilitate research. The pump scheduling problem can be viewed as a decision process to decide when to operate pumps to supply water while limiting electricity consumption and meeting system constraints. To provide a starting point, we release a well-documented codebase, present an overview of some challenges that can be addressed and provide a baseline representation of the problem. The code and dataset are available at https://gitlab.com/hdonancio/pumpscheduling.

Deep neural networks are vulnerable to adversarial attacks, such as backdoor attacks in which a malicious adversary compromises a model during training such that specific behaviour can be triggered at test time by attaching a specific word or phrase to an input. This paper considers the problem of diagnosing whether a model has been compromised and if so, identifying the backdoor trigger. We present the first robust defence mechanism that generalizes to several backdoor attacks against text classification models, without prior knowledge of the attack type, nor does our method require access to any (potentially compromised) training resources. Our experiments show that our technique is highly accurate at defending against state-of-the-art backdoor attacks, including data poisoning and weight poisoning, across a range of text classification tasks and model architectures. Our code will be made publicly available upon acceptance.

Filter pruning of a CNN is typically achieved by applying discrete masks on the CNN's filter weights or activation maps, post-training. Here, we present a new filter-importance-scoring concept named pruning by active attention manipulation (PAAM), that sparsifies the CNN's set of filters through a particular attention mechanism, during-training. PAAM learns analog filter scores from the filter weights by optimizing a cost function regularized by an additive term in the scores. As the filters are not independent, we use attention to dynamically learn their correlations. Moreover, by training the pruning scores of all layers simultaneously, PAAM can account for layer inter-dependencies, which is essential to finding a performant sparse sub-network. PAAM can also train and generate a pruned network from scratch in a straightforward, one-stage training process without requiring a pre-trained network. Finally, PAAM does not need layer-specific hyperparameters and pre-defined layer budgets, since it can implicitly determine the appropriate number of filters in each layer. Our experimental results on different network architectures suggest that PAAM outperforms state-of-the-art structured-pruning methods (SOTA). On CIFAR-10 dataset, without requiring a pre-trained baseline network, we obtain 1.02% and 1.19% accuracy gain and 52.3% and 54% parameters reduction, on ResNet56 and ResNet110, respectively. Similarly, on the ImageNet dataset, PAAM achieves 1.06% accuracy gain while pruning 51.1% of the parameters on ResNet50. For Cifar-10, this is better than the SOTA with a margin of 9.5% and 6.6%, respectively, and on ImageNet with a margin of 11%.

Complex time-varying systems are often studied by abstracting away from the dynamics of individual components to build a model of the population-level dynamics from the start. However, when building a population-level description, it can be easy to lose sight of each individual and how they contribute to the larger picture. In this paper, we present a novel transformer architecture for learning from time-varying data that builds descriptions of both the individual as well as the collective population dynamics. Rather than combining all of our data into our model at the onset, we develop a separable architecture that operates on individual time-series first before passing them forward; this induces a permutation-invariance property and can be used to transfer across systems of different size and order. After demonstrating that our model can be applied to successfully recover complex interactions and dynamics in many-body systems, we apply our approach to populations of neurons in the nervous system. On neural activity datasets, we show that our model not only yields robust decoding performance, but also provides impressive performance in transfer across recordings of different animals without any neuron-level correspondence. By enabling flexible pre-training that can be transferred to neural recordings of different size and order, our work provides a first step towards creating a foundation model for neural decoding.

A major problem of deep neural networks for image classification is their vulnerability to domain changes at test-time. Recent methods have proposed to address this problem with test-time training (TTT), where a two-branch model is trained to learn a main classification task and also a self-supervised task used to perform test-time adaptation. However, these techniques require defining a proxy task specific to the target application. To tackle this limitation, we propose TTTFlow: a Y-shaped architecture using an unsupervised head based on Normalizing Flows to learn the normal distribution of latent features and detect domain shifts in test examples. At inference, keeping the unsupervised head fixed, we adapt the model to domain-shifted examples by maximizing the log likelihood of the Normalizing Flow. Our results show that our method can significantly improve the accuracy with respect to previous works.

Supervised Causal Learning (SCL) aims to learn causal relations from observational data by accessing previously seen datasets associated with ground truth causal relations. This paper presents a first attempt at addressing a fundamental question: What are the benefits from supervision and how does it benefit? Starting from seeing that SCL is not better than random guessing if the learning target is non-identifiable a priori, we propose a two-phase paradigm for SCL by explicitly considering structure identifiability. Following this paradigm, we tackle the problem of SCL on discrete data and propose ML4C. The core of ML4C is a binary classifier with a novel learning target: it classifies whether an Unshielded Triple (UT) is a v-structure or not. Specifically, starting from an input dataset with the corresponding skeleton provided, ML4C orients each UT once it is classified as a v-structure. These v-structures are together used to construct the final output. To address the fundamental question of SCL, we propose a principled method for ML4C featurization: we exploit the vicinity of a given UT (i.e., the neighbors of UT in skeleton), and derive features by considering the conditional dependencies and structural entanglement within the vicinity. We further prove that ML4C is asymptotically correct. Last but foremost, thorough experiments conducted on benchmark datasets demonstrate that ML4C remarkably outperforms other state-of-the-art algorithms in terms of accuracy, reliability, robustness and tolerance. In summary, ML4C shows promising results on validating the effectiveness of supervision for causal learning. Our codes are publicly available at https://github.com/microsoft/ML4C.

Texture-based classification solutions have proven their significance in many domains, from industrial inspections to health-related applications. New methods have been developed based on texture feature learning and CNN-based architectures to address computer vision use cases for images with rich texture-based features. In recent years, architectures solving texture-based classification problems and demonstrating state-of-the-art results have emerged. Yet, one limitation of these approaches is that they cannot claim to be suitable for all types of image texture patterns. Each technique has an advantage for a specific texture type only. To address this shortcoming, we propose a framework that combines more than one texture-based techniques together, uniquely, with a CNN backbone to extract the most relevant texture features. This enables the model to be trained in a self-selective manner and produce improved results over current published benchmarks -- with almost same number of model parameters. Our proposed framework works well on most texture types simultaneously and allows flexibility for additional texture-based methods to be accommodated to achieve better results than existing architectures. In this work, firstly, we present an analysis on the relative importance of existing techniques when used alone and in combination with other TE methods on benchmark datasets. Secondly, we show that Global Average Pooling which represents the spatial information -- is of less significance in comparison to the TE method(s) applied in the network while training for texture-based classification tasks. Finally, we present state-of-the-art results for several texture-based benchmark datasets by combining three existing texture-based techniques using our proposed framework.

Since the late '50s, when the first artificial satellite was launched, the number of resident space objects (RSOs) has steadily increased. It is estimated that around 1 Million objects larger than 1 cm are currently orbiting the Earth, with only 30,000, larger than 10 cm, presently being tracked. To avert a chain reaction of collisions, termed Kessler Syndrome, it is indispensable to accurately track and predict space debris and satellites' orbit alike. Current physics-based methods have errors in the order of kilometres for 7 days predictions, which is insufficient when considering space debris that have mostly less than 1 meter. Typically, this failure is due to uncertainty around the state of the space object at the beginning of the trajectory, forecasting errors in environmental conditions such as atmospheric drag, as well as specific unknown characteristics such as mass or geometry of the RSO. Leveraging data-driven techniques, namely machine learning, the orbit prediction accuracy can be enhanced: by deriving unmeasured objects' characteristics, improving non-conservative forces' effects, and by the superior abstraction capacity that Deep Learning models have of modelling highly complex non-linear systems. In this survey, we provide an overview of the current work being done in this field.

A cognitive radar is a constrained utility maximizer that adapts its sensing mode in response to a changing environment. If an adversary can estimate the utility function of a cognitive radar, it can determine the radar's sensing strategy and mitigate the radar performance via electronic countermeasures (ECM). This paper discusses how a cognitive radar can {\em hide} its strategy from an adversary that detects cognition. The radar does so by transmitting purposefully designed sub-optimal responses to spoof the adversary's Neyman-Pearson detector. We provide theoretical guarantees by ensuring the Type-I error probability of the adversary's detector exceeds a pre-defined level for a specified tolerance on the radar's performance loss. We illustrate our cognition masking scheme via numerical examples involving waveform adaptation and beam allocation. We show that small purposeful deviations from the optimal strategy of the radar confuse the adversary by significant amounts, thereby masking the radar's cognition. Our approach uses novel ideas from revealed preference in microeconomics and adversarial inverse reinforcement learning. Our proposed algorithms provide a principled approach for system-level electronic counter-countermeasures (ECCM) to mask the radar's cognition, i.e., hide the radar's strategy from an adversary. We also provide performance bounds for our cognition masking scheme when the adversary has misspecified measurements of the radar's response.

The problem of attempting to learn the mapping between data and labels is the crux of any machine learning task. It is, therefore, of interest to the machine learning community on practical as well as theoretical counts to consider the existence of a test or criterion for deciding the feasibility of attempting to learn. We investigate the existence of such a criterion in the setting of PAC-learning, basing the feasibility solely on whether the mapping to be learnt lends itself to approximation by a given class of hypothesis functions. We show that no such criterion exists, exposing a fundamental limitation in the decidability of learning. In other words, we prove that testing for PAC-learnability is undecidable in the Turing sense. We also briefly discuss some of the probable implications of this result to the current practice of machine learning.

The design of effective online caching policies is an increasingly important problem for content distribution networks, online social networks and edge computing services, among other areas. This paper proposes a new algorithmic toolbox for tackling this problem through the lens of \emph{optimistic} online learning. We build upon the Follow-the-Regularized-Leader (FTRL) framework, which is developed further here to include predictions for the file requests, and we design online caching algorithms for bipartite networks with pre-reserved or dynamic storage subject to time-average budget constraints. The predictions are provided by a content recommendation system that influences the users viewing activity and hence can naturally reduce the caching network's uncertainty about future requests. We also extend the framework to learn and utilize the best request predictor in cases where many are available. We prove that the proposed {optimistic} learning caching policies can achieve \emph{sub-zero} performance loss (regret) for perfect predictions, and maintain the sub-linear regret bound $O(\sqrt T)$, which is the best achievable bound for policies that do not use predictions, even for arbitrary-bad predictions. The performance of the proposed algorithms is evaluated with detailed trace-driven numerical tests.

We introduce ObSynth, an interactive system leveraging the domain knowledge embedded in large language models (LLMs) to help users design object models from high level natural language prompts. This is an example of specification reification, the process of taking a high-level, potentially vague specification and reifying it into a more concrete form. We evaluate ObSynth via a user study, leading to three key findings: first, object models designed using ObSynth are more detailed, showing that it often synthesizes fields users might have otherwise omitted. Second, a majority of objects, methods, and fields generated by ObSynth are kept by the user in the final object model, highlighting the quality of generated components. Third, ObSynth altered the workflow of participants: they focus on checking that synthesized components were correct rather than generating them from scratch, though ObSynth did not reduce the time participants took to generate object models.

Neural network models generally involve two important components, i.e., network architecture and neuron model. Although there are abundant studies about network architectures, only a few neuron models have been developed, such as the MP neuron model developed in 1943 and the spiking neuron model developed in the 1950s. Recently, a new bio-plausible neuron model, Flexible Transmitter (FT) model, has been proposed. It exhibits promising behaviors, particularly on temporal-spatial signals, even when simply embedded into the common feedforward network architecture. This paper attempts to understand the properties of the FT network (FTNet) theoretically. Under mild assumptions, we show that: i) FTNet is a universal approximator; ii) the approximation complexity of FTNet can be exponentially smaller than those of commonly-used real-valued neural networks with feedforward/recurrent architectures and is of the same order in the worst case; iii) any local minimum of FTNet is the global minimum, implying that it is possible to identify global minima by local search algorithms.

Predictive multiplicity occurs when classification models with statistically indistinguishable performances assign conflicting predictions to individual samples. When used for decision-making in applications of consequence (e.g., lending, education, criminal justice), models developed without regard for predictive multiplicity may result in unjustified and arbitrary decisions for specific individuals. We introduce a new metric, called Rashomon Capacity, to measure predictive multiplicity in probabilistic classification. Prior metrics for predictive multiplicity focus on classifiers that output thresholded (i.e., 0-1) predicted classes. In contrast, Rashomon Capacity applies to probabilistic classifiers, capturing more nuanced score variations for individual samples. We provide a rigorous derivation for Rashomon Capacity, argue its intuitive appeal, and demonstrate how to estimate it in practice. We show that Rashomon Capacity yields principled strategies for disclosing conflicting models to stakeholders. Our numerical experiments illustrate how Rashomon Capacity captures predictive multiplicity in various datasets and learning models, including neural networks. The tools introduced in this paper can help data scientists measure and report predictive multiplicity prior to model deployment.

Score-based generative models are a new class of generative algorithms that have been shown to produce realistic images even in high dimensional spaces, currently surpassing other state-of-the-art models for different benchmark categories and applications. In this work we introduce CaloScore, a score-based generative model for collider physics applied to calorimeter shower generation. Three different diffusion models are investigated using the Fast Calorimeter Simulation Challenge 2022 dataset. CaloScore is the first application of a score-based generative model in collider physics and is able to produce high-fidelity calorimeter images for all datasets, providing an alternative paradigm for calorimeter shower simulation.

When utilising PAC-Bayes theory for risk certification, it is usually necessary to estimate and bound the Gibbs risk of the PAC-Bayes posterior. Many works in the literature employ a method for this which requires a large number of passes of the dataset, incurring high computational cost. This manuscript presents a very general alternative which makes computational savings on the order of the dataset size.

The existence of spurious correlations such as image backgrounds in the training environment can make empirical risk minimization (ERM) perform badly in the test environment. To address this problem, Kirichenko et al. (2022) empirically found that the core features that are causally related to the outcome can still be learned well even with the presence of spurious correlations. This opens a promising strategy to first train a feature learner rather than a classifier, and then perform linear probing (last layer retraining) in the test environment. However, a theoretical understanding of when and why this approach works is lacking. In this paper, we find that core features are only learned well when they are less noisy than spurious features, which is not necessarily true in practice. We provide both theories and experiments to support this finding and to illustrate the importance of feature noise. Moreover, we propose an algorithm called Freeze then Train (FTT), that first freezes certain salient features and then trains the rest of the features using ERM. We theoretically show that FTT preserves features that are more beneficial to test time probing. Across two commonly used real-world benchmarks, FTT outperforms ERM, JTT and CVaR-DRO, with especially substantial improvement in accuracy (by 4.8%) when the feature noise is large.

In the process industry, condition monitoring systems with automated fault diagnosis methods assist human experts and thereby improve maintenance efficiency, process sustainability, and workplace safety. Improving the automated fault diagnosis methods using data and machine learning-based models is a central aspect of intelligent fault diagnosis (IFD). A major challenge in IFD is to develop realistic datasets with accurate labels needed to train and validate models, and to transfer models trained with labeled lab data to heterogeneous process industry environments. However, fault descriptions and work-orders written by domain experts are increasingly digitised in modern condition monitoring systems, for example in the context of rotating equipment monitoring. Thus, domain-specific knowledge about fault characteristics and severities exists as technical language annotations in industrial datasets. Furthermore, recent advances in natural language processing enable weakly supervised model optimisation using natural language annotations, most notably in the form of natural language supervision (NLS). This creates a timely opportunity to develop technical language supervision (TLS) solutions for IFD systems grounded in industrial data, for example as a complement to pre-training with lab data to address problems like overfitting and inaccurate out-of-sample generalisation. We surveyed the literature and identify a considerable improvement in the maturity of NLS over the last two years, facilitating applications beyond natural language; a rapid development of weak supervision methods; and transfer learning as a current trend in IFD which can benefit from these developments. Finally we describe a general framework for TLS and implement a TLS case study based on SentenceBERT and contrastive learning based zero-shot inference on annotated industry data.

Ensembling certifiably robust neural networks is a promising approach for improving the \emph{certified robust accuracy} of neural models. Black-box ensembles that assume only query-access to the constituent models (and their robustness certifiers) during prediction are particularly attractive due to their modular structure. Cascading ensembles are a popular instance of black-box ensembles that appear to improve certified robust accuracies in practice. However, we show that the robustness certifier used by a cascading ensemble is unsound. That is, when a cascading ensemble is certified as locally robust at an input $x$ (with respect to $\epsilon$), there can be inputs $x'$ in the $\epsilon$-ball centered at $x$, such that the cascade's prediction at $x'$ is different from $x$ and thus the ensemble is not locally robust. Our theoretical findings are accompanied by empirical results that further demonstrate this unsoundness. We present \emph{cascade attack} (CasA), an adversarial attack against cascading ensembles, and show that: (1) there exists an adversarial input for up to 88\% of the samples where the ensemble claims to be certifiably robust and accurate; and (2) the accuracy of a cascading ensemble under our attack is as low as 11\% when it claims to be certifiably robust and accurate on 97\% of the test set. Our work reveals a critical pitfall of cascading certifiably robust models by showing that the seemingly beneficial strategy of cascading can actually hurt the robustness of the resulting ensemble. Our code is available at \url{https://github.com/TristaChi/ensembleKW}.

Medical report generation task, which targets to produce long and coherent descriptions of medical images, has attracted growing research interests recently. Different from the general image captioning tasks, medical report generation is more challenging for data-driven neural models. This is mainly due to 1) the serious data bias and 2) the limited medical data. To alleviate the data bias and make best use of available data, we propose a Competence-based Multimodal Curriculum Learning framework (CMCL). Specifically, CMCL simulates the learning process of radiologists and optimizes the model in a step by step manner. Firstly, CMCL estimates the difficulty of each training instance and evaluates the competence of current model; Secondly, CMCL selects the most suitable batch of training instances considering current model competence. By iterating above two steps, CMCL can gradually improve the model's performance. The experiments on the public IU-Xray and MIMIC-CXR datasets show that CMCL can be incorporated into existing models to improve their performance.

Most adversarial attack methods that are designed to deceive a text classifier change the text classifier's prediction by modifying a few words or characters. Few try to attack classifiers by rewriting a whole sentence, due to the difficulties inherent in sentence-level rephrasing as well as the problem of setting the criteria for legitimate rewriting. In this paper, we explore the problem of creating adversarial examples with sentence-level rewriting. We design a new sampling method, named ParaphraseSampler, to efficiently rewrite the original sentence in multiple ways. Then we propose a new criteria for modification, called a sentence-level threaten model. This criteria allows for both word- and sentence-level changes, and can be adjusted independently in two dimensions: semantic similarity and grammatical quality. Experimental results show that many of these rewritten sentences are misclassified by the classifier. On all 6 datasets, our ParaphraseSampler achieves a better attack success rate than our baseline.

We study the problem of policy optimization (PO) with linear temporal logic (LTL) constraints. The language of LTL allows flexible description of tasks that may be unnatural to encode as a scalar cost function. We consider LTL-constrained PO as a systematic framework, decoupling task specification from policy selection, and as an alternative to the standard of cost shaping. With access to a generative model, we develop a model-based approach that enjoys a sample complexity analysis for guaranteeing both task satisfaction and cost optimality (through a reduction to a reachability problem). Empirically, our algorithm can achieve strong performance even in low-sample regimes.

An every increasing number of clinical trials features a time-to-event outcome and records non-tabular patient data, such as magnetic resonance imaging or text data in the form of electronic health records. Recently, several neural-network based solutions have been proposed, some of which are binary classifiers. Parametric, distribution-free approaches which make full use of survival time and censoring status have not received much attention. We present deep conditional transformation models (DCTMs) for survival outcomes as a unifying approach to parametric and semiparametric survival analysis. DCTMs allow the specification of non-linear and non-proportional hazards for both tabular and non-tabular data and extend to all types of censoring and truncation. On real and semi-synthetic data, we show that DCTMs compete with state-of-the-art DL approaches to survival analysis.

Masked image modeling (MIM) has been recognized as a strong and popular self-supervised pre-training approach in the vision domain. However, the interpretability of the mechanism and properties of the learned representations by such a scheme are so far not well-explored. In this work, through comprehensive experiments and empirical studies on Masked Autoencoders (MAE), we address two critical questions to explore the behaviors of the learned representations: (i) Are the latent representations in Masked Autoencoders linearly separable if the input is a mixture of two images instead of one? This can be concrete evidence used to explain why MAE-learned representations have superior performance on downstream tasks, as proven by many literature impressively. (ii) What is the degree of semantics encoded in the latent feature space by Masked Autoencoders? To explore these two problems, we propose a simple yet effective Interpretable MAE (i-MAE) framework with a two-way image reconstruction and a latent feature reconstruction with distillation loss to help us understand the behaviors inside MAE's structure. Extensive experiments are conducted on CIFAR-10/100, Tiny-ImageNet and ImageNet-1K datasets to verify the observations we discovered. Furthermore, in addition to qualitatively analyzing the characteristics of the latent representations, we examine the existence of linear separability and the degree of semantics in the latent space by proposing two novel metrics. The surprising and consistent results across the qualitative and quantitative experiments demonstrate that i-MAE is a superior framework design for interpretability research of MAE frameworks, as well as achieving better representational ability. Code is available at https://github.com/vision-learning-acceleration-lab/i-mae.

Partial client participation has been widely adopted in Federated Learning (FL) to efficiently reduce the communication burden. However, an improper client sampling scheme will select unrepresentative subsets, which will cause a large variance in the model update and slows down the convergence. Existing sampling methods are either biased or can be further improved to accelerate the convergence. In this paper, we propose an unbiased sampling scheme, termed DELTA, to alleviate this problem. In particular, DELTA characterizes the impact of client diversity and local variance and samples the representative clients who carry valuable information for global model updates. Moreover, DELTA is a provably optimal unbiased sampling scheme that minimizes the variance caused by partial client participation and achieves better convergence than other unbiased sampling schemes. We corroborate our results with experiments on both synthetic and real data sets.

The problem of constrained Markov decision process is considered. An agent aims to maximize the expected accumulated discounted reward subject to multiple constraints on its costs (the number of constraints is relatively small). A new dual approach is proposed with the integration of two ingredients: entropy regularized policy optimizer and Vaidya's dual optimizer, both of which are critical to achieve faster convergence. The finite-time error bound of the proposed approach is provided. Despite the challenge of the nonconcave objective subject to nonconcave constraints, the proposed approach is shown to converge (with linear rate) to the global optimum. The complexity expressed in terms of the optimality gap and the constraint violation significantly improves upon the existing primal-dual approaches.

In this note we demonstrate provable convergence of SGD to the global minima of appropriately regularized $\ell_2-$empirical risk of depth $2$ nets -- for arbitrary data and with any number of gates, if they are using adequately smooth and bounded activations like sigmoid and tanh. We build on the results in [1] and leverage a constant amount of Frobenius norm regularization on the weights, along with sampling of the initial weights from an appropriate distribution. We also give a continuous time SGD convergence result that also applies to smooth unbounded activations like SoftPlus. Our key idea is to show the existence loss functions on constant sized neural nets which are "Villani Functions".

Finetuning language models on a collection of datasets phrased as instructions has been shown to improve model performance and generalization to unseen tasks. In this paper we explore instruction finetuning with a particular focus on (1) scaling the number of tasks, (2) scaling the model size, and (3) finetuning on chain-of-thought data. We find that instruction finetuning with the above aspects dramatically improves performance on a variety of model classes (PaLM, T5, U-PaLM), prompting setups (zero-shot, few-shot, CoT), and evaluation benchmarks (MMLU, BBH, TyDiQA, MGSM, open-ended generation). For instance, Flan-PaLM 540B instruction-finetuned on 1.8K tasks outperforms PALM 540B by a large margin (+9.4% on average). Flan-PaLM 540B achieves state-of-the-art performance on several benchmarks, such as 75.2% on five-shot MMLU. We also publicly release Flan-T5 checkpoints, which achieve strong few-shot performance even compared to much larger models, such as PaLM 62B. Overall, instruction finetuning is a general method for improving the performance and usability of pretrained language models.

We consider the problem of finding the smallest or largest entry of a tensor of order $N$ that is specified via its rank decomposition. Stated in a different way, we are given $N$ sets of $R$-dimensional vectors and we wish to select one vector from each set such that the sum of the Hadamard product of the selected vectors is minimized or maximized. This is a fundamental tensor problem with numerous applications in embedding similarity search, recommender systems, graph mining, multivariate probability, and statistics. We show that this discrete optimization problem is NP-hard for any tensor rank higher than one, but also provide an equivalent continuous problem reformulation which is amenable to disciplined non-convex optimization. We propose a suite of gradient-based approximation algorithms whose performance in preliminary experiments appears to be promising.

In practice, multi-task learning (through learning features shared among tasks) is an essential property of deep neural networks (NNs). While infinite-width limits of NNs can provide good intuition for their generalization behavior, the well-known infinite-width limits of NNs in the literature (e.g., neural tangent kernels) assume specific settings in which wide ReLU-NNs behave like shallow Gaussian Processes with a fixed kernel. Consequently, in such settings, these NNs lose their ability to benefit from multi-task learning in the infinite-width limit. In contrast, we prove that optimizing wide ReLU neural networks with at least one hidden layer using L2-regularization on the parameters promotes multi-task learning due to representation-learning - also in the limiting regime where the network width tends to infinity. We present an exact quantitative characterization of this infinite width limit in an appropriate function space that neatly describes multi-task learning.

State-of-the-art machine learning models can be vulnerable to very small input perturbations that are adversarially constructed. Adversarial training is an effective approach to defend against such examples. It is formulated as a min-max problem, searching for the best solution when the training data was corrupted by the worst-case attacks. For linear regression problems, adversarial training can be formulated as a convex problem. We use this reformulation to make two technical contributions: First, we formulate the training problem as an instance of robust regression to reveal its connection to parameter-shrinking methods, specifically that $\ell_\infty$-adversarial training produces sparse solutions. Secondly, we study adversarial training in the overparameterized regime, i.e. when there are more parameters than data. We prove that adversarial training with small disturbances gives the solution with the minimum-norm that interpolates the training data. Ridge regression and lasso approximate such interpolating solutions as their regularization parameter vanishes. By contrast, for adversarial training, the transition into the interpolation regime is abrupt and for non-zero values of disturbance. This result is proved and illustrated with numerical examples.

Real world datasets contain incorrectly labeled instances that hamper the performance of the model and, in particular, the ability to generalize out of distribution. Also, each example might have different contribution towards learning. This motivates studies to better understanding of the role of data instances with respect to their contribution in good metrics in models. In this paper we propose a method based on metrics computed from training dynamics of Gradient Boosting Decision Trees (GBDTs) to assess the behavior of each training example. We focus on datasets containing mostly tabular or structured data, for which the use of Decision Trees ensembles are still the state-of-the-art in terms of performance. We show results on detecting noisy labels in order to either remove them, improving models' metrics in synthetic and real datasets, as well as a productive dataset. Our methods achieved the best results overall when compared with confident learning and heuristics.

Structure-based drug design uses three-dimensional geometric information of macromolecules, such as proteins or nucleic acids, to identify suitable ligands. Geometric deep learning, an emerging concept of neural-network-based machine learning, has been applied to macromolecular structures. This review provides an overview of the recent applications of geometric deep learning in bioorganic and medicinal chemistry, highlighting its potential for structure-based drug discovery and design. Emphasis is placed on molecular property prediction, ligand binding site and pose prediction, and structure-based de novo molecular design. The current challenges and opportunities are highlighted, and a forecast of the future of geometric deep learning for drug discovery is presented.

Pre-trained language models (PrLMs) have achieved great success on a wide range of natural language processing tasks by virtue of the universal language representation ability obtained by self-supervised learning on a large corpus. These models are pre-trained on standard plain texts with general language model (LM) training objectives, which would be insufficient to model dialogue-exclusive attributes like specificity and informativeness reflected in these tasks that are not explicitly captured by the pre-trained universal language representations. In this work, we propose dialogue-adaptive pre-training objectives (DAPO) derived from quality estimation to simulate dialogue-specific features, namely coherence, specificity, and informativeness. As the foundation for model pre-training, we synthesize a new dialogue corpus and build our training set with two unsupervised methods: 1) coherence-oriented context corruption, including utterance ordering, insertion, and replacement, to help the model capture the coherence inside the dialogue contexts; and 2) specificity-oriented automatic rescoring, which encourages the model to measure the quality of the synthesized data for dialogue-adaptive pre-training by considering specificity and informativeness. Experimental results on widely used open-domain response selection and quality estimation benchmarks show that DAPO significantly improves the baseline models and achieves state-of-the-art performance on the MuTual leaderboard, verifying the effectiveness of estimating quality evaluation factors into pre-training.

Cardiac disease is the leading cause of death in the US. Accurate heart disease detection is of critical importance for timely medical treatment to save patients' lives. Routine use of electrocardiogram (ECG) is the most common method for physicians to assess the electrical activities of the heart and detect possible abnormal cardiac conditions. Fully utilizing the ECG data for reliable heart disease detection depends on developing effective analytical models. In this paper, we propose a two-level hierarchical deep learning framework with Generative Adversarial Network (GAN) for automatic diagnosis of ECG signals. The first-level model is composed of a Memory-Augmented Deep auto-Encoder with GAN (MadeGAN), which aims to differentiate abnormal signals from normal ECGs for anomaly detection. The second-level learning aims at robust multi-class classification for different arrhythmias identification, which is achieved by integrating the transfer learning technique to transfer knowledge from the first-level learning with the multi-branching architecture to handle the data-lacking and imbalanced data issue. We evaluate the performance of the proposed framework using real-world medical data from the MIT-BIH arrhythmia database. Experimental results show that our proposed model outperforms existing methods that are commonly used in current practice.

Nowadays, Hearth Rate (HR) monitoring is a key feature of almost all wrist-worn devices exploiting photoplethysmography (PPG) sensors. However, arm movements affect the performance of PPG-based HR tracking. This issue is usually addressed by fusing the PPG signal with data produced by inertial measurement units. Thus, deep learning algorithms have been proposed, but they are considered too complex to deploy on wearable devices and lack the explainability of results. In this work, we present a new deep learning model, PULSE, which exploits temporal convolutions and multi-head cross-attention to improve sensor fusion's effectiveness and achieve a step towards explainability. We evaluate the performance of PULSE on three publicly available datasets, reducing the mean absolute error by 7.56% on the most extensive available dataset, PPG-DaLiA. Finally, we demonstrate the explainability of PULSE and the benefits of applying attention modules to PPG and motion data.

In deep reinforcement learning (RL), data augmentation is widely considered as a tool to induce a set of useful priors about semantic consistency and improve sample efficiency and generalization performance. However, even when the prior is useful for generalization, distilling it to RL agent often interferes with RL training and degenerates sample efficiency. Meanwhile, the agent is forgetful of the prior due to the non-stationary nature of RL. These observations suggest two extreme schedules of distillation: (i) over the entire training; or (ii) only at the end. Hence, we devise a stand-alone network distillation method to inject the consistency prior at any time (even after RL), and a simple yet efficient framework to automatically schedule the distillation. Specifically, the proposed framework first focuses on mastering train environments regardless of generalization by adaptively deciding which {\it or no} augmentation to be used for the training. After this, we add the distillation to extract the remaining benefits for generalization from all the augmentations, which requires no additional new samples. In our experiments, we demonstrate the utility of the proposed framework, in particular, that considers postponing the augmentation to the end of RL training.

Complex prediction models such as deep learning are the output from fitting machine learning, neural networks, or AI models to a set of training data. These are now standard tools in science. A key challenge with the current generation of models is that they are highly parameterized, which makes describing and interpreting the prediction strategies difficult. We use topological data analysis to transform these complex prediction models into pictures representing a topological view. The result is a map of the predictions that enables inspection. The methods scale up to large datasets across different domains and enable us to detect labeling errors in training data, understand generalization in image classification, and inspect predictions of likely pathogenic mutations in the BRCA1 gene.

Recently self supervised learning has seen explosive growth and use in variety of machine learning tasks because of its ability to avoid the cost of annotating large-scale datasets. This paper gives an overview for best self supervised learning approaches for multimodal learning. The presented approaches have been aggregated by extensive study of the literature and tackle the application of self supervised learning in different ways. The approaches discussed are cross modal generation, cross modal pretraining, cyclic translation, and generating unimodal labels in self supervised fashion.

Ransomware has appeared as one of the major global threats in recent days The alarming increasing rate of ransomware attacks and new ransomware variants intrigue the researchers to constantly examine the distinguishing traits of ransomware and refine their detection strategies Application Programming Interface API is a way for one program to collaborate with another API calls are the medium by which they communicate Ransomware uses this strategy to interact with the OS and makes a significantly higher number of calls in different sequences to ask for taking action This research work utilizes the frequencies of different API calls to detect and classify ransomware families First a WebCrawler is developed to automate collecting the Windows Portable Executable PE files of 15 different ransomware families By extracting different frequencies of 68 API calls we develop our dataset in the first phase of the two phase feature engineering process After selecting the most significant features in the second phase of the feature engineering process we deploy six Supervised Machine Learning models Naive Bayes Logistic Regression Random Forest Stochastic Gradient Descent K Nearest Neighbor and Support Vector Machine Then the performances of all the classifiers are compared to select the best model The results reveal that Logistic Regression can efficiently classify ransomware into their corresponding families securing 9915 accuracy Finally instead of relying on the Black box characteristic of the Machine Learning models we present the interpretability of our best performing model using SHAP values to ascertain the transparency and trustworthiness of the models prediction

Recent advances in self-supervised learning integrate Masked Modeling and Siamese Networks into a single framework to fully reap the advantages of both the two techniques. However, previous erasing-based masking scheme in masked image modeling is not originally designed for siamese networks. Existing approaches simply inherit the default loss design from previous siamese networks, and ignore the information loss and distance change after employing masking operation in the frameworks. In this paper, we propose a filling-based masking strategy called MixMask to prevent information loss due to the randomly erased areas of an image in vanilla masking method. We further introduce a dynamic loss function design with soft distance to adapt the integrated architecture and avoid mismatches between transformed input and objective in Masked Siamese ConvNets (MSCN). The dynamic loss distance is calculated according to the proposed mix-masking scheme. Extensive experiments are conducted on various datasets of CIFAR-100, Tiny-ImageNet and ImageNet-1K. The results demonstrate that the proposed framework can achieve better accuracy on linear probing, semi-supervised and {supervised finetuning}, which outperforms the state-of-the-art MSCN by a significant margin. We also show the superiority on downstream tasks of object detection and segmentation. Our source code is available at https://github.com/LightnessOfBeing/MixMask.

Deep classifiers are known to rely on spurious features $\unicode{x2013}$ patterns which are correlated with the target on the training data but not inherently relevant to the learning problem, such as the image backgrounds when classifying the foregrounds. In this paper we evaluate the amount of information about the core (non-spurious) features that can be decoded from the representations learned by standard empirical risk minimization (ERM) and specialized group robustness training. Following recent work on Deep Feature Reweighting (DFR), we evaluate the feature representations by re-training the last layer of the model on a held-out set where the spurious correlation is broken. On multiple vision and NLP problems, we show that the features learned by simple ERM are highly competitive with the features learned by specialized group robustness methods targeted at reducing the effect of spurious correlations. Moreover, we show that the quality of learned feature representations is greatly affected by the design decisions beyond the training method, such as the model architecture and pre-training strategy. On the other hand, we find that strong regularization is not necessary for learning high quality feature representations. Finally, using insights from our analysis, we significantly improve upon the best results reported in the literature on the popular Waterbirds, CelebA hair color prediction and WILDS-FMOW problems, achieving 97%, 92% and 50% worst-group accuracies, respectively.

A key function of auditory cognition is the association of characteristic sounds with their corresponding semantics over time. Humans attempting to discriminate between fine-grained audio categories, often replay the same discriminative sounds to increase their prediction confidence. We propose an end-to-end attention-based architecture that through selective repetition attends over the most discriminative sounds across the audio sequence. Our model initially uses the full audio sequence and iteratively refines the temporal segments replayed based on slot attention. At each playback, the selected segments are replayed using a smaller hop length which represents higher resolution features within these segments. We show that our method can consistently achieve state-of-the-art performance across three audio-classification benchmarks: AudioSet, VGG-Sound, and EPIC-KITCHENS-100.

The automatic synthesis of a policy through reinforcement learning (RL) from a given set of formal requirements depends on the construction of a reward signal and consists of the iterative application of many policy-improvement steps. The synthesis algorithm has to balance target, safety, and comfort requirements in a single objective and to guarantee that the policy improvement does not increase the number of safety-requirements violations, especially for safety-critical applications. In this work, we present a solution to the synthesis problem by solving its two main challenges: reward-shaping from a set of formal requirements and safe policy update. For the former, we propose an automatic reward-shaping procedure, defining a scalar reward signal compliant with the task specification. For the latter, we introduce an algorithm ensuring that the policy is improved in a safe fashion with high-confidence guarantees. We also discuss the adoption of a model-based RL algorithm to efficiently use the collected data and train a model-free agent on the predicted trajectories, where the safety violation does not have the same impact as in the real world. Finally, we demonstrate in standard control benchmarks that the resulting learning procedure is effective and robust even under heavy perturbations of the hyperparameters.

The ability to carve the world into useful abstractions in order to reason about time and space is a crucial component of intelligence. In order to successfully perceive and act effectively using senses we must parse and compress large amounts of information for further downstream reasoning to take place, allowing increasingly complex concepts to emerge. If there is any hope to scale representation learning methods to work with real world scenes and temporal dynamics then there must be a way to learn accurate, concise, and composable abstractions across time. We present the Slot Transformer, an architecture that leverages slot attention, transformers and iterative variational inference on video scene data to infer such representations. We evaluate the Slot Transformer on CLEVRER, Kinetics-600 and CATER datesets and demonstrate that the approach allows us to develop robust modeling and reasoning around complex behaviours as well as scores on these datasets that compare favourably to existing baselines. Finally we evaluate the effectiveness of key components of the architecture, the model's representational capacity and its ability to predict from incomplete input.

The mean field variational inference (MFVI) formulation restricts the general Bayesian inference problem to the subspace of product measures. We present a framework to analyze MFVI algorithms, which is inspired by a similar development for general variational Bayesian formulations. Our approach enables the MFVI problem to be represented in three different manners: a gradient flow on Wasserstein space, a system of Fokker-Planck-like equations and a diffusion process. Rigorous guarantees are established to show that a time-discretized implementation of the coordinate ascent variational inference algorithm in the product Wasserstein space of measures yields a gradient flow in the limit. A similar result is obtained for their associated densities, with the limit being given by a quasi-linear partial differential equation. A popular class of practical algorithms falls in this framework, which provides tools to establish convergence. We hope this framework could be used to guarantee convergence of algorithms in a variety of approaches, old and new, to solve variational inference problems.

An NLP model that understands stories should be able to understand the characters in them. To support the development of neural models for this purpose, we construct a benchmark, Story2Personality. The task is to predict a movie character's MBTI or Big 5 personality types based on the narratives of the character. Experiments show that our task is challenging for the existing text classification models, as none is able to largely outperform random guesses. We further proposed a multi-view model for personality prediction using both verbal and non-verbal descriptions, which gives improvement compared to using only verbal descriptions. The uniqueness and challenges in our dataset call for the development of narrative comprehension techniques from the perspective of understanding characters.

Accurate high-altitude wind forecasting is important for air traffic control. And the large volume of data available for this task makes deep neural network-based models a possibility. However, special methods are required because the data is measured only sparsely: along the main aircraft trajectories and arranged sparsely in space, namely along the main air corridors. Several deep learning approaches have been proposed, and in this work, we show that Transformers can fit this data efficiently and are able to extrapolate coherently from a context set. We show this by an extensive comparison of Transformers to numerous existing deep learning-based baselines in the literature. Besides high-altitude wind forecasting, we compare competing models on other dynamical physical systems, namely those modelled by partial differential equations, in particular the Poisson equation and Darcy Flow equation. For these experiments, in the case where the data is arranged non-regularly in space, Transformers outperform all the other evaluated methods. We also compared them in a more standard setup where the data is arranged on a grid and show that the Transformers are competitive with state-of-the-art methods, even though it does not require regular spacing. The code and datasets of the different experiments will be made publicly available at publication time.

AUCMEDI is a Python-based framework for medical image classification. In this paper, we evaluate the capabilities of AUCMEDI, by applying it to multiple datasets. Datasets were specifically chosen to cover a variety of medical disciplines and imaging modalities. We designed a simple pipeline using Jupyter notebooks and applied it to all datasets. Results show that AUCMEDI was able to train a model with accurate classification capabilities for each dataset: Averaged AUC per dataset range between 0.82 and 1.0, averaged F1 scores range between 0.61 and 1.0. With its high adaptability and strong performance, AUCMEDI proves to be a powerful instrument to build widely applicable neural networks. The notebooks serve as application examples for AUCMEDI.

Scaling language models improves performance but comes with significant computational costs. This paper proposes UL2R, a method that substantially improves existing language models and their scaling curves with a relatively tiny amount of extra compute. The key idea is to continue training a state-of-the-art large language model (e.g., PaLM) on a few more steps with UL2's mixture-of-denoiser objective. We show that, with almost negligible extra computational costs and no new sources of data, we are able to substantially improve the scaling properties of large language models on downstream metrics. In this paper, we continue training PaLM with UL2R, introducing a new set of models at 8B, 62B, and 540B scale which we call U-PaLM. Impressively, at 540B scale, we show an approximately 2x computational savings rate where U-PaLM achieves the same performance as the final PaLM 540B model at around half its computational budget (i.e., saving $\sim$4.4 million TPUv4 hours). We further show that this improved scaling curve leads to 'emergent abilities' on challenging BIG-Bench tasks -- for instance, U-PaLM does much better than PaLM on some tasks or demonstrates better quality at much smaller scale (62B as opposed to 540B). Overall, we show that U-PaLM outperforms PaLM on many few-shot setups, i.e., English NLP tasks (e.g., commonsense reasoning, question answering), reasoning tasks with chain-of-thought (e.g., GSM8K), multilingual tasks (MGSM, TydiQA), MMLU and challenging BIG-Bench tasks. Finally, we provide qualitative examples showing the new capabilities of U-PaLM for single and multi-span infilling.

Concerns about the reproducibility of deep learning research are more prominent than ever, with no clear solution in sight. The relevance of machine learning research can only be improved if we also employ empirical rigor that incorporates reproducibility guidelines, especially so in the medical imaging field. The Medical Imaging with Deep Learning (MIDL) conference has made advancements in this direction by advocating open access, and recently also recommending authors to make their code public - both aspects being adopted by the majority of the conference submissions. This helps the reproducibility of the methods, however, there is currently little or no support for further evaluation of these supplementary material, making them vulnerable to poor quality, which affects the impact of the entire submission. We have evaluated all accepted full paper submissions to MIDL between 2018 and 2022 using established, but slightly adjusted guidelines on reproducibility and the quality of the public repositories. The evaluations show that publishing repositories and using public datasets are becoming more popular, which helps traceability, but the quality of the repositories has not improved over the years, leaving room for improvement in every aspect of designing repositories. Merely 22% of all submissions contain a repository that were deemed repeatable using our evaluations. From the commonly encountered issues during the evaluations, we propose a set of guidelines for machine learning-related research for medical imaging applications, adjusted specifically for future submissions to MIDL.

Current deep learning methods for object recognition are purely data-driven and require a large number of training samples to achieve good results. Due to their sole dependence on image data, these methods tend to fail when confronted with new environments where even small deviations occur. Human perception, however, has proven to be significantly more robust to such distribution shifts. It is assumed that their ability to deal with unknown scenarios is based on extensive incorporation of contextual knowledge. Context can be based either on object co-occurrences in a scene or on memory of experience. In accordance with the human visual cortex which uses context to form different object representations for a seen image, we propose an approach that enhances deep learning methods by using external contextual knowledge encoded in a knowledge graph. Therefore, we extract different contextual views from a generic knowledge graph, transform the views into vector space and infuse it into a DNN. We conduct a series of experiments to investigate the impact of different contextual views on the learned object representations for the same image dataset. The experimental results provide evidence that the contextual views influence the image representations in the DNN differently and therefore lead to different predictions for the same images. We also show that context helps to strengthen the robustness of object recognition models for out-of-distribution images, usually occurring in transfer learning tasks or real-world scenarios.

This study addresses the problem of selecting dynamically, at each time instance, the ``optimal'' p-norm to combat outliers in linear adaptive filtering without any knowledge on the potentially time-varying probability distribution function of the outliers. To this end, an online and data-driven framework is designed via kernel-based reinforcement learning (KBRL). Novel Bellman mappings on reproducing kernel Hilbert spaces (RKHSs) are introduced that need no knowledge on transition probabilities of Markov decision processes, and are nonexpansive with respect to the underlying Hilbertian norm. An approximate policy-iteration framework is finally offered via the introduction of a finite-dimensional affine superset of the fixed-point set of the proposed Bellman mappings. The well-known ``curse of dimensionality'' in RKHSs is addressed by building a basis of vectors via an approximate linear dependency criterion. Numerical tests on synthetic data demonstrate that the proposed framework selects always the ``optimal'' p-norm for the outlier scenario at hand, outperforming at the same time several non-RL and KBRL schemes.

Training a reinforcement learning (RL) agent on a real-world robotics task remains generally impractical due to sample inefficiency. Multi-task RL and meta-RL aim to improve sample efficiency by generalizing over a distribution of related tasks. However, doing so is difficult in practice: In multi-task RL, state of the art methods often fail to outperform a degenerate solution that simply learns each task separately. Hypernetworks are a promising path forward since they replicate the separate policies of the degenerate solution while also allowing for generalization across tasks, and are applicable to meta-RL. However, evidence from supervised learning suggests hypernetwork performance is highly sensitive to the initialization. In this paper, we 1) show that hypernetwork initialization is also a critical factor in meta-RL, and that naive initializations yield poor performance; 2) propose a novel hypernetwork initialization scheme that matches or exceeds the performance of a state-of-the-art approach proposed for supervised settings, as well as being simpler and more general; and 3) use this method to show that hypernetworks can improve performance in meta-RL by evaluating on multiple simulated robotics benchmarks.

We present and analyze the Krylov-Bellman Boosting (KBB) algorithm for policy evaluation in general state spaces. It alternates between fitting the Bellman residual using non-parametric regression (as in boosting), and estimating the value function via the least-squares temporal difference (LSTD) procedure applied with a feature set that grows adaptively over time. By exploiting the connection to Krylov methods, we equip this method with two attractive guarantees. First, we provide a general convergence bound that allows for separate estimation errors in residual fitting and LSTD computation. Consistent with our numerical experiments, this bound shows that convergence rates depend on the restricted spectral structure, and are typically super-linear. Second, by combining this meta-result with sample-size dependent guarantees for residual fitting and LSTD computation, we obtain concrete statistical guarantees that depend on the sample size along with the complexity of the function class used to fit the residuals. We illustrate the behavior of the KBB algorithm for various types of policy evaluation problems, and typically find large reductions in sample complexity relative to the standard approach of fitted value iterationn.

Timely detected anomalies in the chemical technological processes, as well as the earliest detection of the cause of the fault, significantly reduce the production cost in the industrial factories. Data on the state of the technological process and the operation of production equipment are received by a large number of different sensors. To better predict the behavior of the process and equipment, it is necessary not only to consider the behavior of the signals in each sensor separately, but also to take into account their correlation and hidden relationships with each other. Graph-based data representation helps with this. The graph nodes can be represented as data from the different sensors, and the edges can display the influence of these data on each other. In this work, the possibility of applying graph neural networks to the problem of fault diagnosis in a chemical process is studied. It was proposed to construct a graph during the training of graph neural network. This allows to train models on data where the dependencies between the sensors are not known in advance. In this work, several methods for obtaining adjacency matrices were considered, as well as their quality was studied. It has also been proposed to use multiple adjacency matrices in one model. We showed state-of-the-art performance on the fault diagnosis task with the Tennessee Eastman Process dataset. The proposed graph neural networks outperformed the results of recurrent neural networks.

Knowledge-enhanced methods that take advantage of auxiliary knowledge graphs recently emerged in relation extraction, and they surpass traditional text-based relation extraction methods. However, there are no unified public benchmarks that currently involve evidence sentences and knowledge graphs for knowledge-enhanced relation extraction. To combat these issues, we propose KGRED, a knowledge graph enhanced relation extraction dataset with features as follows: (1) the benchmarks are based on widely-used distantly supervised relation extraction datasets; (2) we refine these existing datasets to improve the data quality, and we also construct auxiliary knowledge graphs for these existing datasets through entity linking to support knowledge-enhanced relation extraction tasks; (3) with the new benchmarks we curated, we build baselines in two popular relation extraction settings including sentence-level and bag-level relation extraction, and we also make comparisons among the latest knowledge-enhanced relation extraction methods. KGRED provides high-quality relation extraction datasets with auxiliary knowledge graphs for evaluating the performance of knowledge-enhanced relation extraction methods. Meanwhile, our experiments on KGRED reveal the influence of knowledge graph information on relation extraction tasks.

We propose a generalization of the synthetic controls and synthetic interventions methodology to incorporate network interference. We consider the estimation of unit-specific treatment effects from panel data where there are spillover effects across units and in the presence of unobserved confounding. Key to our approach is a novel latent factor model that takes into account network interference and generalizes the factor models typically used in panel data settings. We propose an estimator, "network synthetic interventions", and show that it consistently estimates the mean outcomes for a unit under an arbitrary sequence of treatments for itself and its neighborhood, given certain observation patterns hold in the data. We corroborate our theoretical findings with simulations.

We introduce Breaking Bad, a large-scale dataset of fractured objects. Our dataset consists of over one million fractured objects simulated from ten thousand base models. The fracture simulation is powered by a recent physically based algorithm that efficiently generates a variety of fracture modes of an object. Existing shape assembly datasets decompose objects according to semantically meaningful parts, effectively modeling the construction process. In contrast, Breaking Bad models the destruction process of how a geometric object naturally breaks into fragments. Our dataset serves as a benchmark that enables the study of fractured object reassembly and presents new challenges for geometric shape understanding. We analyze our dataset with several geometry measurements and benchmark three state-of-the-art shape assembly deep learning methods under various settings. Extensive experimental results demonstrate the difficulty of our dataset, calling on future research in model designs specifically for the geometric shape assembly task. We host our dataset at https://breaking-bad-dataset.github.io/.

Spectral Graph Convolutional Networks (spectral GCNNs), a powerful tool for analyzing and processing graph data, typically apply frequency filtering via Fourier transform to obtain representations with selective information. Although research shows that spectral GCNNs can be enhanced by framelet-based filtering, the massive majority of such research only considers undirected graphs. In this paper, we introduce Framelet-MagNet, a magnetic framelet-based spectral GCNN for directed graphs (digraphs). The model applies the framelet transform to digraph signals to form a more sophisticated representation for filtering. Digraph framelets are constructed with the complex-valued magnetic Laplacian, simultaneously leading to signal processing in both real and complex domains. We empirically validate the predictive power of Framelet-MagNet over a range of state-of-the-art models in node classification, link prediction, and denoising.

Many classification problems consider classes that form a hierarchy. Classifiers that are aware of this hierarchy may be able to make confident predictions at a coarse level despite being uncertain at the fine-grained level. While it is generally possible to vary the granularity of predictions using a threshold at inference time, most contemporary work considers only leaf-node prediction, and almost no prior work has compared methods at multiple operating points. We present an efficient algorithm to produce operating characteristic curves for any method that assigns a score to every class in the hierarchy. Applying this technique to evaluate existing methods reveals that top-down classifiers are dominated by a naive flat softmax classifier across the entire operating range. We further propose two novel loss functions and show that a soft variant of the structured hinge loss is able to significantly outperform the flat baseline. Finally, we investigate the poor accuracy of top-down classifiers and demonstrate that they perform relatively well on unseen classes. Code is available online at https://github.com/jvlmdr/hiercls.

Graph Neural Networks (GNNs) have become increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due to the complexity of graph data and model execution. Despite additional computational costs, post-hoc explanation approaches have been widely adopted due to the generality of their architectures. Intrinsically interpretable models provide instant explanations but are usually model-specific, which can only explain particular GNNs. Therefore, we propose a novel GNN explanation framework named SCALE, which is general and fast for explaining predictions. SCALE trains multiple specialty learners to explain GNNs since constructing one powerful explainer to examine attributions of interactions in input graphs is complicated. In training, a black-box GNN model guides learners based on an online knowledge distillation paradigm. In the explanation phase, explanations of predictions are provided by multiple explainers corresponding to trained learners. Specifically, edge masking and random walk with restart procedures are executed to provide structural explanations for graph-level and node-level predictions, respectively. A feature attribution module provides overall summaries and instance-level feature contributions. We compare SCALE with state-of-the-art baselines via quantitative and qualitative experiments to prove its explanation correctness and execution performance. We also conduct a series of ablation studies to understand the strengths and weaknesses of the proposed framework.

Spectroscopic data may often contain unwanted extrinsic signals. For example, in ARPES experiment, a wire mesh is typically placed in front of the CCD to block stray photo-electrons, but could cause a grid-like structure in the spectra during quick measurement mode. In the past, this structure was often removed using the mathematical Fourier filtering method by erasing the periodic structure. However, this method may lead to information loss and vacancies in the spectra because the grid structure is not strictly linearly superimposed. Here, we propose a deep learning method to effectively overcome this problem. Our method takes advantage of the self-correlation information within the spectra themselves and can greatly optimize the quality of the spectra while removing the grid structure and noise simultaneously. It has the potential to be extended to all spectroscopic measurements to eliminate other extrinsic signals and enhance the spectral quality based on the self-correlation of the spectra solely.

A natural goal in multiagent learning besides finding equilibria is to learn rationalizable behavior, where players learn to avoid iteratively dominated actions. However, even in the basic setting of multiplayer general-sum games, existing algorithms require a number of samples exponential in the number of players to learn rationalizable equilibria under bandit feedback. This paper develops the first line of efficient algorithms for learning rationalizable Coarse Correlated Equilibria (CCE) and Correlated Equilibria (CE) whose sample complexities are polynomial in all problem parameters including the number of players. To achieve this result, we also develop a new efficient algorithm for the simpler task of finding one rationalizable action profile (not necessarily an equilibrium), whose sample complexity substantially improves over the best existing results of Wu et al. (2021). Our algorithms incorporate several novel techniques to guarantee rationalizability and no (swap-)regret simultaneously, including a correlated exploration scheme and adaptive learning rates, which may be of independent interest. We complement our results with a sample complexity lower bound showing the sharpness of our guarantees.

We introduce an $r-$adaptive algorithm to solve Partial Differential Equations using a Deep Neural Network. The proposed method restricts to tensor product meshes and optimizes the boundary node locations in one dimension, from which we build two- or three-dimensional meshes. The method allows the definition of fixed interfaces to design conforming meshes, and enables changes in the topology, i.e., some nodes can jump across fixed interfaces. The method simultaneously optimizes the node locations and the PDE solution values over the resulting mesh. To numerically illustrate the performance of our proposed $r-$adaptive method, we apply it in combination with a collocation method, a Least Squares Method, and a Deep Ritz Method. We focus on the latter to solve one- and two-dimensional problems whose solutions are smooth, singular, and/or exhibit strong gradients.

Since the 2004 DARPA Grand Challenge, the autonomous driving technology has witnessed nearly two decades of rapid development. Particularly, in recent years, with the application of new sensors and deep learning technologies extending to the autonomous field, the development of autonomous driving technology has continued to make breakthroughs. Thus, many carmakers and high-tech giants dedicated to research and system development of autonomous driving. However, as the foundation of autonomous driving, the deep learning technology faces many new security risks. The academic community has proposed deep learning countermeasures against the adversarial examples and AI backdoor, and has introduced them into the autonomous driving field for verification. Deep learning security matters to autonomous driving system security, and then matters to personal safety, which is an issue that deserves attention and research.This paper provides an summary of the concepts, developments and recent research in deep learning security technologies in autonomous driving. Firstly, we briefly introduce the deep learning framework and pipeline in the autonomous driving system, which mainly include the deep learning technologies and algorithms commonly used in this field. Moreover, we focus on the potential security threats of the deep learning based autonomous driving system in each functional layer in turn. We reviews the development of deep learning attack technologies to autonomous driving, investigates the State-of-the-Art algorithms, and reveals the potential risks. At last, we provides an outlook on deep learning security in the autonomous driving field and proposes recommendations for building a safe and trustworthy autonomous driving system.

In the machine learning literature stochastic gradient descent has recently been widely discussed for its purported implicit regularization properties. Much of the theory, that attempts to clarify the role of noise in stochastic gradient algorithms, has widely approximated stochastic gradient descent by a stochastic differential equation with Gaussian noise. We provide a novel rigorous theoretical justification for this practice that showcases how the Gaussianity of the noise arises naturally.

The Bayesian transformed Gaussian process (BTG) model, proposed by Kedem and Oliviera, is a fully Bayesian counterpart to the warped Gaussian process (WGP) and marginalizes out a joint prior over input warping and kernel hyperparameters. This fully Bayesian treatment of hyperparameters often provides more accurate regression estimates and superior uncertainty propagation, but is prohibitively expensive. The BTG posterior predictive distribution, itself estimated through high-dimensional integration, must be inverted in order to perform model prediction. To make the Bayesian approach practical and comparable in speed to maximum-likelihood estimation (MLE), we propose principled and fast techniques for computing with BTG. Our framework uses doubly sparse quadrature rules, tight quantile bounds, and rank-one matrix algebra to enable both fast model prediction and model selection. These scalable methods allow us to regress over higher-dimensional datasets and apply BTG with layered transformations that greatly improve its expressibility. We demonstrate that BTG achieves superior empirical performance over MLE-based models.

Current adversarial attacks for motion estimation (optical flow) optimize small per-pixel perturbations, which are unlikely to appear in the real world. In contrast, we exploit a real-world weather phenomenon for a novel attack with adversarially optimized snow. At the core of our attack is a differentiable renderer that consistently integrates photorealistic snowflakes with realistic motion into the 3D scene. Through optimization we obtain adversarial snow that significantly impacts the optical flow while being indistinguishable from ordinary snow. Surprisingly, the impact of our novel attack is largest on methods that previously showed a high robustness to small L_p perturbations.

Causal discovery aims to recover causal structures generating the observational data. Despite its success in certain problems, in many real-world scenarios the observed variables are not the target variables of interest, but the imperfect measures of the target variables. Causal discovery under measurement error aims to recover the causal graph among unobserved target variables from observations made with measurement error. We consider a specific formulation of the problem, where the unobserved target variables follow a linear non-Gaussian acyclic model, and the measurement process follows the random measurement error model. Existing methods on this formulation rely on non-scalable over-complete independent component analysis (OICA). In this work, we propose the Transformed Independent Noise (TIN) condition, which checks for independence between a specific linear transformation of some measured variables and certain other measured variables. By leveraging the non-Gaussianity and higher-order statistics of data, TIN is informative about the graph structure among the unobserved target variables. By utilizing TIN, the ordered group decomposition of the causal model is identifiable. In other words, we could achieve what once required OICA to achieve by only conducting independence tests. Experimental results on both synthetic and real-world data demonstrate the effectiveness and reliability of our method.

We introduce a modified version of the excess risk, which can be used to obtain tighter, fast-rate PAC-Bayesian generalisation bounds. This modified excess risk leverages information about the relative hardness of data examples to reduce the variance of its empirical counterpart, tightening the bound. We combine this with a new bound for $[-1, 1]$-valued (and potentially non-independent) signed losses, which is more favourable when they empirically have low variance around $0$. The primary new technical tool is a novel result for sequences of interdependent random vectors which may be of independent interest. We empirically evaluate these new bounds on a number of real-world datasets.

As a basic research problem for building effective recommender systems, post-click conversion rate (CVR) estimation has long been plagued by sample selection bias and data sparsity issues. To address the data sparsity issue, prevalent methods based on entire space multi-task model leverage the sequential pattern of user actions, i.e. exposure $\rightarrow$ click $\rightarrow$ conversion to construct auxiliary learning tasks. However, they still fall short of guaranteeing the unbiasedness of CVR estimates. This paper theoretically demonstrates two defects of these entire space multi-task models: (1) inherent estimation bias (IEB) for CVR estimation, where the CVR estimate is inherently higher than the ground truth; (2) potential independence priority (PIP) for CTCVR estimation, where the causality from click to conversion might be overlooked. This paper further proposes a principled method named entire space counterfactual multi-task model (ESCM$^2$), which employs a counterfactual risk minimizer to handle both IEB and PIP issues at once. To demonstrate the effectiveness of the proposed method, this paper explores its parameter tuning in practice, derives its analytic properties, and showcases its effectiveness in industrial CVR estimation, where ESCM$^2$ can effectively alleviate the intrinsic IEB and PIP issues and outperform baseline models.

Submodular functions and variants, through their ability to characterize diversity and coverage, have emerged as a key tool for data selection and summarization. Many recent approaches to learn submodular functions suffer from limited expressiveness. In this work, we propose FLEXSUBNET, a family of flexible neural models for both monotone and non-monotone submodular functions. To fit a latent submodular function from (set, value) observations, FLEXSUBNET applies a concave function on modular functions in a recursive manner. We do not draw the concave function from a restricted family, but rather learn from data using a highly expressive neural network that implements a differentiable quadrature procedure. Such an expressive neural model for concave functions may be of independent interest. Next, we extend this setup to provide a novel characterization of monotone \alpha-submodular functions, a recently introduced notion of approximate submodular functions. We then use this characterization to design a novel neural model for such functions. Finally, we consider learning submodular set functions under distant supervision in the form of (perimeter-set, high-value-subset) pairs. This yields a novel subset selection method based on an order-invariant, yet greedy sampler built around the above neural set functions. Our experiments on synthetic and real data show that FLEXSUBNET outperforms several baselines.

We systematically study the spectrum of kernel-based graph Laplacian (GL) constructed from high-dimensional and noisy random point cloud in the nonnull setup. The problem is motived by studying the model when the clean signal is sampled from a manifold that is embedded in a low-dimensional Euclidean subspace, and corrupted by high-dimensional noise. We quantify how the signal and noise interact over different regions of signal-to-noise ratio (SNR), and report the resulting peculiar spectral behavior of GL. In addition, we explore the impact of chosen kernel bandwidth on the spectrum of GL over different regions of SNR, which lead to an adaptive choice of kernel bandwidth that coincides with the common practice in real data. This result paves the way to a theoretical understanding of how practitioners apply GL when the dataset is noisy.

Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-structured data. Exiting GNN architectures usually adopt simple pooling operations (eg. sum, average, max) when aggregating messages from a local neighborhood for updating node representation or pooling node representations from the entire graph to compute the graph representation. Though simple and effective, these linear operations do not model high-order non-linear interactions among nodes. We propose the Tensorized Graph Neural Network (tGNN), a highly expressive GNN architecture relying on tensor decomposition to model high-order non-linear node interactions. tGNN leverages the symmetric CP decomposition to efficiently parameterize permutation-invariant multilinear maps for modeling node interactions. Theoretical and empirical analysis on both node and graph classification tasks show the superiority of tGNN over competitive baselines. In particular, tGNN achieves the most solid results on two OGB node classification datasets and one OGB graph classification dataset.

The COVID-19 pandemic has posed a heavy burden to the healthcare system worldwide and caused huge social disruption and economic loss. Many deep learning models have been proposed to conduct clinical predictive tasks such as mortality prediction for COVID-19 patients in intensive care units using Electronic Health Record (EHR) data. Despite their initial success in certain clinical applications, there is currently a lack of benchmarking results to achieve a fair comparison so that we can select the optimal model for clinical use. Furthermore, there is a discrepancy between the formulation of traditional prediction tasks and real-world clinical practice in intensive care. To fill these gaps, we propose two clinical prediction tasks, Outcome-specific length-of-stay prediction and Early mortality prediction for COVID-19 patients in intensive care units. The two tasks are adapted from the naive length-of-stay and mortality prediction tasks to accommodate the clinical practice for COVID-19 patients. We propose fair, detailed, open-source data-preprocessing pipelines and evaluate 17 state-of-the-art predictive models on two tasks, including 5 machine learning models, 6 basic deep learning models and 6 deep learning predictive models specifically designed for EHR data. We provide benchmarking results using data from two real-world COVID-19 EHR datasets. One dataset is publicly available without needing any inquiry and another dataset can be accessed on request. We provide fair, reproducible benchmarking results for two tasks. We deploy all experiment results and models on an online platform. We also allow clinicians and researchers to upload their data to the platform and get quick prediction results using our trained models. We hope our efforts can further facilitate deep learning and machine learning research for COVID-19 predictive modeling.

When robots enter everyday human environments, they need to understand their tasks and how they should perform those tasks. To encode these, reward functions, which specify the objective of a robot, are employed. However, designing reward functions can be extremely challenging for complex tasks and environments. A promising approach is to learn reward functions from humans. Recently, several robot learning works embrace this approach and leverage human demonstrations to learn the reward functions. Known as inverse reinforcement learning, this approach relies on a fundamental assumption: humans can provide near-optimal demonstrations to the robot. Unfortunately, this is rarely the case: human demonstrations to the robot are often suboptimal due to various reasons, e.g., difficulty of teleoperation, robot having high degrees of freedom, or humans' cognitive limitations. This thesis is an attempt towards learning reward functions from human users by using other, more reliable data modalities. Specifically, we study how reward functions can be learned using comparative feedback, in which the human user compares multiple robot trajectories instead of (or in addition to) providing demonstrations. To this end, we first propose various forms of comparative feedback, e.g., pairwise comparisons, best-of-many choices, rankings, scaled comparisons; and describe how a robot can use these various forms of human feedback to infer a reward function, which may be parametric or non-parametric. Next, we propose active learning techniques to enable the robot to ask for comparison feedback that optimizes for the expected information that will be gained from that user feedback. Finally, we demonstrate the applicability of our methods in a wide variety of domains, ranging from autonomous driving simulations to home robotics, from standard reinforcement learning benchmarks to lower-body exoskeletons.

The alfalfa crop is globally important as livestock feed, so highly efficient planting and harvesting could benefit many industries, especially as the global climate changes and traditional methods become less accurate. Recent work using machine learning (ML) to predict yields for alfalfa and other crops has shown promise. Previous efforts used remote sensing, weather, planting, and soil data to train machine learning models for yield prediction. However, while remote sensing works well, the models require large amounts of data and cannot make predictions until the harvesting season begins. Using weather and planting data from alfalfa variety trials in Kentucky and Georgia, our previous work compared feature selection techniques to find the best technique and best feature set. In this work, we trained a variety of machine learning models, using cross validation for hyperparameter optimization, to predict biomass yields, and we showed better accuracy than similar work that employed more complex techniques. Our best individual model was a random forest with a mean absolute error of 0.081 tons/acre and R{$^2$} of 0.941. Next, we expanded this dataset to include Wisconsin and Mississippi, and we repeated our experiments, obtaining a higher best R{$^2$} of 0.982 with a regression tree. We then isolated our testing datasets by state to explore this problem's eligibility for domain adaptation (DA), as we trained on multiple source states and tested on one target state. This Trivial DA (TDA) approach leaves plenty of room for improvement through exploring more complex DA techniques in forthcoming work.

The thighbone is the largest bone supporting the lower body. If the thighbone fracture is not treated in time, it will lead to lifelong inability to walk. Correct diagnosis of thighbone disease is very important in orthopedic medicine. Deep learning is promoting the development of fracture detection technology. However, the existing computer aided diagnosis (CAD) methods baesd on deep learning rely on a large number of manually labeled data, and labeling these data costs a lot of time and energy. Therefore, we develop a object detection method with limited labeled image quantity and apply it to the thighbone fracture localization. In this work, we build a semi-supervised object detection(SSOD) framework based on single-stage detector, which including three modules: adaptive difficult sample oriented (ADSO) module, Fusion Box and deformable expand encoder (Dex encoder). ADSO module takes the classification score as the label reliability evaluation criterion by weighting, Fusion Box is designed to merge similar pseudo boxes into a reliable box for box regression and Dex encoder is proposed to enhance the adaptability of image augmentation. The experiment is conducted on the thighbone fracture dataset, which includes 3484 training thigh fracture images and 358 testing thigh fracture images. The experimental results show that the proposed method achieves the state-of-the-art AP in thighbone fracture detection at different labeled data rates, i.e. 1%, 5% and 10%. Besides, we use full data to achieve knowledge distillation, our method achieves 86.2% AP50 and 52.6% AP75.

When applying differential privacy to sensitive data, a common way of getting improved performance is to use external information such as other sensitive data, public data, or human priors. We propose to use the algorithms with predictions framework -- previously applied largely to improve time complexity or competitive ratios -- as a powerful way of designing and analyzing privacy-preserving methods that can take advantage of such external information to improve utility. For four important tasks -- quantile release, its extension to multiple quantiles, covariance estimation, and data release -- we construct prediction-dependent differentially private methods whose utility scales with natural measures of prediction quality. The analyses enjoy several advantages, including minimal assumptions about the data, natural ways of adding robustness to noisy predictions, and novel "meta" algorithms that can learn predictions from other (potentially sensitive) data. Overall, our results demonstrate how to enable differentially private algorithms to make use of and learn noisy predictions, which holds great promise for improving utility while preserving privacy across a variety of tasks.

The graph retrieval problem is to search in a large corpus of graphs for ones that are most similar to a query graph. A common consideration for scoring similarity is the maximum common subgraph (MCS) between the query and corpus graphs, usually counting the number of common edges (i.e., MCES). In some applications, it is also desirable that the common subgraph be connected, i.e., the maximum common connected subgraph (MCCS). Finding exact MCES and MCCS is intractable, but may be unnecessary if ranking corpus graphs by relevance is the goal. We design fast and trainable neural functions that approximate MCES and MCCS well. Late interaction methods compute dense representations for the query and corpus graph separately, and compare these representations using simple similarity functions at the last stage, leading to highly scalable systems. Early interaction methods combine information from both graphs right from the input stages, are usually considerably more accurate, but slower. We propose both late and early interaction neural MCES and MCCS formulations. They are both based on a continuous relaxation of a node alignment matrix between query and corpus nodes. For MCCS, we propose a novel differentiable network for estimating the size of the largest connected common subgraph. Extensive experiments with seven data sets show that our proposals are superior among late interaction models in terms of both accuracy and speed. Our early interaction models provide accuracy competitive with the state of the art, at substantially greater speeds.

Accurately extracting driving events is the way to maximize computational efficiency and anomaly detection performance in the tire frictional nose-based anomaly detection task. This study proposes a concise and highly useful method for improving the precision of the event extraction that is hindered by extra noise such as wind noise, which is difficult to characterize clearly due to its randomness. The core of the proposed method is based on the identification of the road friction sound corresponding to the frequency of interest and removing the opposite characteristics with several frequency filters. Our method enables precision maximization of driving event extraction while improving anomaly detection performance by an average of 8.506%. Therefore, we conclude our method is a practical solution suitable for road surface anomaly detection purposes in outdoor edge computing environments.

We apply the PAC-Bayes theory to the setting of learning-to-optimize. To the best of our knowledge, we present the first framework to learn optimization algorithms with provable generalization guarantees (PAC-bounds) and explicit trade-off between a high probability of convergence and a high convergence speed. Even in the limit case, where convergence is guaranteed, our learned optimization algorithms provably outperform related algorithms based on a (deterministic) worst-case analysis. Our results rely on PAC-Bayes bounds for general, unbounded loss-functions based on exponential families. By generalizing existing ideas, we reformulate the learning procedure into a one-dimensional minimization problem and study the possibility to find a global minimum, which enables the algorithmic realization of the learning procedure. As a proof-of-concept, we learn hyperparameters of standard optimization algorithms to empirically underline our theory.

The COVID-19 pandemic has affected countries across the world, demanding drastic public health policies to mitigate the spread of infection, leading to economic crisis as a collateral damage. In this work, we investigated the impact of human mobility (described via international commercial flights) on COVID-19 infection dynamics at the global scale. For this, we developed a graph neural network-based framework referred to as Dynamic Connectivity GraphSAGE (DCSAGE), which operates over spatiotemporal graphs and is well-suited for dynamically changing adjacency information. To obtain insights on the relative impact of different geographical locations, due to their associated air traffic, on the evolution of the pandemic, we conducted local sensitivity analysis on our model through node perturbation experiments. From our analyses, we identified Western Europe, North America, and Middle East as the leading geographical locations fueling the pandemic, attributed to the enormity of air traffic originating or transiting through these regions. We used these observations to identify tangible air traffic reduction strategies that can have a high impact on controlling the pandemic, with minimal interference to human mobility. Our work provides a robust deep learning-based tool to study global pandemics and is of key relevance to policy makers to take informed decisions regarding air traffic restrictions during future outbreaks.

Decentralized learning has been advocated and widely deployed to make efficient use of distributed datasets, with an extensive focus on supervised learning (SL) problems. Unfortunately, the majority of real-world data are unlabeled and can be highly heterogeneous across sources. In this work, we carefully study decentralized learning with unlabeled data through the lens of self-supervised learning (SSL), specifically contrastive visual representation learning. We study the effectiveness of a range of contrastive learning algorithms under decentralized learning settings, on relatively large-scale datasets including ImageNet-100, MS-COCO, and a new real-world robotic warehouse dataset. Our experiments show that the decentralized SSL (Dec-SSL) approach is robust to the heterogeneity of decentralized datasets, and learns useful representation for object classification, detection, and segmentation tasks. This robustness makes it possible to significantly reduce communication and reduce the participation ratio of data sources with only minimal drops in performance. Interestingly, using the same amount of data, the representation learned by Dec-SSL can not only perform on par with that learned by centralized SSL which requires communication and excessive data storage costs, but also sometimes outperform representations extracted from decentralized SL which requires extra knowledge about the data labels. Finally, we provide theoretical insights into understanding why data heterogeneity is less of a concern for Dec-SSL objectives, and introduce feature alignment and clustering techniques to develop a new Dec-SSL algorithm that further improves the performance, in the face of highly non-IID data. Our study presents positive evidence to embrace unlabeled data in decentralized learning, and we hope to provide new insights into whether and why decentralized SSL is effective.

This paper addresses the task of contextual translation using multi-segment models. Specifically we show that increasing model capacity further pushes the limits of this approach and that deeper models are more suited to capture context dependencies. Furthermore, improvements observed with larger models can be transferred to smaller models using knowledge distillation. Our experiments show that this approach achieves competitive performance across several languages and benchmarks, without additional language-specific tuning and task specific architectures.

In deep metric learning, the Triplet Loss has emerged as a popular method to learn many computer vision and natural language processing tasks such as facial recognition, object detection, and visual-semantic embeddings. One issue that plagues the Triplet Loss is network collapse, an undesirable phenomenon where the network projects the embeddings of all data onto a single point. Researchers predominately solve this problem by using triplet mining strategies. While hard negative mining is the most effective of these strategies, existing formulations lack strong theoretical justification for their empirical success. In this paper, we utilize the mathematical theory of isometric approximation to show an equivalence between the Triplet Loss sampled by hard negative mining and an optimization problem that minimizes a Hausdorff-like distance between the neural network and its ideal counterpart function. This provides the theoretical justifications for hard negative mining's empirical efficacy. In addition, our novel application of the isometric approximation theorem provides the groundwork for future forms of hard negative mining that avoid network collapse. Our theory can also be extended to analyze other Euclidean space-based metric learning methods like Ladder Loss or Contrastive Learning.

Gaussian processes are Bayesian non-parametric models used in many areas. In this work, we propose a Non-stationary Heteroscedastic Gaussian process model which can be learned with gradient-based techniques. We demonstrate the interpretability of the proposed model by separating the overall uncertainty into aleatoric (irreducible) and epistemic (model) uncertainty. We illustrate the usability of derived epistemic uncertainty on active learning problems. We demonstrate the efficacy of our model with various ablations on multiple datasets.

Applying reinforcement learning (RL) to sparse reward domains is notoriously challenging due to insufficient guiding signals. Common techniques for addressing such domains include (1) learning from demonstrations and (2) curriculum learning. While these two approaches have been studied in detail, they have rarely been considered together. This paper aims to do so by introducing a principled task phasing approach that uses demonstrations to automatically generate a curriculum sequence. Using inverse RL from (suboptimal) demonstrations we define a simple initial task. Our task phasing approach then provides a framework to gradually increase the complexity of the task all the way to the target task, while retuning the RL agent in each phasing iteration. Two approaches for phasing are considered: (1) gradually increasing the proportion of time steps an RL agent is in control, and (2) phasing out a guiding informative reward function. We present conditions that guarantee the convergence of these approaches to an optimal policy. Experimental results on 3 sparse reward domains demonstrate that our task phasing approaches outperform state-of-the-art approaches with respect to their asymptotic performance.

Out-of-distribution (OOD) detection aims to discern outliers from the intended data distribution, which is crucial to maintaining high reliability and a good user experience. Most recent studies in OOD detection utilize the information from a single representation that resides in the penultimate layer to determine whether the input is anomalous or not. Although such a method is straightforward, the potential of diverse information in the intermediate layers is overlooked. In this paper, we propose a novel framework based on contrastive learning that encourages intermediate features to learn layer-specialized representations and assembles them implicitly into a single representation to absorb rich information in the pre-trained language model. Extensive experiments in various intent classification and OOD datasets demonstrate that our approach is significantly more effective than other works.

In this paper, we investigate a novel problem of building contextual bandits in the vertical federated setting, i.e., contextual information is vertically distributed over different departments. This problem remains largely unexplored in the research community. To this end, we carefully design a customized encryption scheme named orthogonal matrix-based mask mechanism(O3M) for encrypting local contextual information while avoiding expensive conventional cryptographic techniques. We further apply the mechanism to two commonly-used bandit algorithms, LinUCB and LinTS, and instantiate two practical protocols for online recommendation under the vertical federated setting. The proposed protocols can perfectly recover the service quality of centralized bandit algorithms while achieving a satisfactory runtime efficiency, which is theoretically proved and analyzed in this paper. By conducting extensive experiments on both synthetic and real-world datasets, we show the superiority of the proposed method in terms of privacy protection and recommendation performance.

Policy Optimization (PO) algorithms have been proven particularly suited to handle the high-dimensionality of real-world continuous control tasks. In this context, Trust Region Policy Optimization methods represent a popular approach to stabilize the policy updates. These usually rely on the Kullback-Leibler (KL) divergence to limit the change in the policy. The Wasserstein distance represents a natural alternative, in place of the KL divergence, to define trust regions or to regularize the objective function. However, state-of-the-art works either resort to its approximations or do not provide an algorithm for continuous state-action spaces, reducing the applicability of the method. In this paper, we explore optimal transport discrepancies (which include the Wasserstein distance) to define trust regions, and we propose a novel algorithm - Optimal Transport Trust Region Policy Optimization (OT-TRPO) - for continuous state-action spaces. We circumvent the infinite-dimensional optimization problem for PO by providing a one-dimensional dual reformulation for which strong duality holds. We then analytically derive the optimal policy update given the solution of the dual problem. This way, we bypass the computation of optimal transport costs and of optimal transport maps, which we implicitly characterize by solving the dual formulation. Finally, we provide an experimental evaluation of our approach across various control tasks. Our results show that optimal transport discrepancies can offer an advantage over state-of-the-art approaches.

Topology optimization (TO) is a method of deriving an optimal design that satisfies a given load and boundary conditions within a design domain. This method enables effective design without initial design, but has been limited in use due to high computational costs. At the same time, machine learning (ML) methodology including deep learning has made great progress in the 21st century, and accordingly, many studies have been conducted to enable effective and rapid optimization by applying ML to TO. Therefore, this study reviews and analyzes previous research on ML-based TO (MLTO). Two different perspectives of MLTO are used to review studies: (1) TO and (2) ML perspectives. The TO perspective addresses "why" to use ML for TO, while the ML perspective addresses "how" to apply ML to TO. In addition, the limitations of current MLTO research and future research directions are examined.

\textit{Dictionary learning}, the problem of recovering a sparsely used matrix $\mathbf{D} \in \mathbb{R}^{M \times K}$ and $N$ independent $K \times 1$ $s$-sparse vectors $\mathbf{X} \in \mathbb{R}^{K \times N}$ from samples of the form $\mathbf{Y} = \mathbf{D}\mathbf{X}$, is of increasing importance to applications in signal processing and data science. Early papers on provable dictionary learning identified that one can detect whether two samples $\mathbf{y}_i, \mathbf{y}_j$ share a common dictionary element by testing if their absolute inner product (correlation) exceeds a certain threshold: $|\left\langle \mathbf{y}_i, \mathbf{y}_j \right\rangle| > \tau$. These correlation-based methods work well when sparsity is small, but suffer from declining performance when sparsity grows faster than $\sqrt{M}$; as a result, such methods were abandoned in the search for dictionary learning algorithms when sparsity is nearly linear in $M$. In this paper, we revisit correlation-based dictionary learning. Instead of seeking to recover individual dictionary atoms, we employ a spectral method to recover the subspace spanned by the dictionary atoms in the support of each sample. This approach circumvents the primary challenge encountered by previous correlation methods, namely that when sharing information between two samples it is difficult to tell \textit{which} dictionary element the two samples share. We prove that under a suitable random model the resulting algorithm recovers dictionaries in polynomial time for sparsity linear in $M$ up to log factors. Our results improve on the best known methods by achieving a decaying error bound in dimension $M$; the best previously known results for the overcomplete ($K > M$) setting achieve polynomial time linear regime only for constant error bounds. Numerical simulations confirm our results.

There has been a recent surge in the field of Explainable AI (XAI) which tackles the problem of providing insights into the behavior of black-box machine learning models. Within this field, \textit{feature attribution} encompasses methods which assign relevance scores to input features and visualize them as a heatmap. Designing flexible accelerators for multiple such algorithms is challenging since the hardware mapping of these algorithms has not been studied yet. In this work, we first analyze the dataflow of gradient backpropagation based feature attribution algorithms to determine the resource overhead required over inference. The gradient computation is optimized to minimize the memory overhead. Second, we develop a High-Level Synthesis (HLS) based configurable FPGA design that is targeted for edge devices and supports three feature attribution algorithms. Tile based computation is employed to maximally use on-chip resources while adhering to the resource constraints. Representative CNNs are trained on CIFAR-10 dataset and implemented on multiple Xilinx FPGAs using 16-bit fixed-point precision demonstrating flexibility of our library. Finally, through efficient reuse of allocated hardware resources, our design methodology demonstrates a pathway to repurpose inference accelerators to support feature attribution with minimal overhead, thereby enabling real-time XAI on the edge.

Deep generative models have emerged as a popular machine learning-based approach for inverse design problems in the life sciences. However, these problems often require sampling new designs that satisfy multiple properties of interest in addition to learning the data distribution. This multi-objective optimization becomes more challenging when properties are independent or orthogonal to each other. In this work, we propose a Pareto-compositional energy-based model (pcEBM), a framework that uses multiple gradient descent for sampling new designs that adhere to various constraints in optimizing distinct properties. We demonstrate its ability to learn non-convex Pareto fronts and generate sequences that simultaneously satisfy multiple desired properties across a series of real-world antibody design tasks.

In powder diffraction data analysis, phase identification is the process of determining the crystalline phases in a sample using its characteristic Bragg peaks. For multiphasic spectra, we must also determine the relative weight fraction of each phase in the sample. Machine Learning algorithms (e.g., Artificial Neural Networks) have been applied to perform such difficult tasks in powder diffraction analysis, but typically require a significant number of training samples for acceptable performance. We have developed an approach that performs well even with a small number of training samples. We apply a fixed-point iteration algorithm on the labelled training samples to estimate monophasic spectra. Then, given an unknown sample spectrum, we again use a fixed-point iteration algorithm to determine the weighted combination of monophase spectra that best approximates the unknown sample spectrum. These weights are the desired phase fractions for the sample. We compare our approach with several traditional Machine Learning algorithms.

As we enter the era of machine learning characterized by an overabundance of data, discovery, organization, and interpretation of the data in an \textit{unsupervised} manner becomes a critical need. One promising approach to this endeavour is the problem of \textit{Disentanglement}, which aims at learning the underlying generative latent factors, called the factors of variation, of the data and encoding them in disjoint latent representations. Recent advances have made efforts to solve this problem for synthetic datasets generated by a fixed set of independent factors of variation. Here, we propose to extend this to real-world datasets with a countable number of factors of variations. We propose a novel framework which augments the latent space of a Variational Autoencoders with a disentangled space and is trained using a Wake-Sleep-inspired two-step algorithm for unsupervised disentanglement. Our network learns to disentangle interpretable, independent factors from the data ``one at a time", and encode it in different dimensions of the disentangled latent space, while making no prior assumptions about the number of factors or their joint distribution. We demonstrate its quantitative and qualitative effectiveness by evaluating the latent representations learned on two synthetic benchmark datasets; DSprites and 3DShapes and on a real datasets CelebA.

Model-based and learning-based methods are two major types of methodologies to model car following behaviors. Model-based methods describe the car-following behaviors with explicit mathematical equations, while learning-based methods focus on getting a mapping between inputs and outputs. Both types of methods have advantages and weaknesses. Meanwhile, most car-following models are generative and only consider the inputs of the speed, position, and acceleration of the last time step. To address these issues, this study proposes a novel framework called IDM-Follower that can generate a sequence of following vehicle trajectory by a recurrent autoencoder informed by a physical car-following model, the Intelligent Driving Model (IDM).We implement a novel structure with two independent encoders and a self-attention decoder that could sequentially predict the following trajectories. A loss function considering the discrepancies between predictions and labeled data integrated with discrepancies from model-based predictions is implemented to update the neural network parameters. Numerical experiments with multiple settings on simulation and NGSIM datasets show that the IDM-Follower can improve the prediction performance compared to the model-based or learning-based methods alone. Analysis on different noise levels also shows good robustness of the model.

Strategies based on Explainable Artificial Intelligence - XAI have promoted better human interpretability of the results of black box machine learning models. The XAI measures being currently used (Ciu, Dalex, Eli5, Lofo, Shap, and Skater) provide various forms of explanations, including global rankings of relevance of attributes. Current research points to the need for further studies on how these explanations meet the Interpretability Expectations of human experts and how they can be used to make the model even more transparent while taking into account specific complexities of the model and dataset being analyzed, as well as important human factors of sensitive real-world contexts/problems. Intending to shed light on the explanations generated by XAI measures and their interpretabilities, this research addresses a real-world classification problem related to homicide prediction, duly endorsed by the scientific community, replicated its proposed black box model and used 6 different XAI measures to generate explanations and 6 different human experts to generate what this research referred to as Interpretability Expectations - IE. The results were computed by means of comparative analysis and identification of relationships among all the attribute ranks produced, and ~49% concordance was found among attributes indicated by means of XAI measures and human experts, ~41% exclusively by XAI measures and ~10% exclusively by human experts. The results allow for answering: "Do the different XAI measures generate similar explanations for the proposed problem?", "Are the interpretability expectations generated among different human experts similar?", "Do the explanations generated by XAI measures meet the interpretability expectations of human experts?" and "Can Interpretability Explanations and Expectations work together?", all of which concerning the context of homicide prediction.

Various automatic curriculum learning (ACL) methods have been proposed to improve the sample efficiency and final performance of deep reinforcement learning (DRL). They are designed to control how a DRL agent collects data, which is inspired by how humans gradually adapt their learning processes to their capabilities. For example, ACL can be used for subgoal generation, reward shaping, environment generation, or initial state generation. However, prior work only considers curriculum learning following one of the aforementioned predefined paradigms. It is unclear which of these paradigms are complementary, and how the combination of them can be learned from interactions with the environment. Therefore, in this paper, we propose a unified automatic curriculum learning framework to create multi-objective but coherent curricula that are generated by a set of parametric curriculum modules. Each curriculum module is instantiated as a neural network and is responsible for generating a particular curriculum. In order to coordinate those potentially conflicting modules in unified parameter space, we propose a multi-task hyper-net learning framework that uses a single hyper-net to parameterize all those curriculum modules. In addition to existing hand-designed curricula paradigms, we further design a flexible memory mechanism to learn an abstract curriculum, which may otherwise be difficult to design manually. We evaluate our method on a series of robotic manipulation tasks and demonstrate its superiority over other state-of-the-art ACL methods in terms of sample efficiency and final performance.

Co-administration of two or more drugs simultaneously can result in adverse drug reactions. Identifying drug-drug interactions (DDIs) is necessary, especially for drug development and for repurposing old drugs. DDI prediction can be viewed as a matrix completion task, for which matrix factorization (MF) appears as a suitable solution. This paper presents a novel Graph Regularized Probabilistic Matrix Factorization (GRPMF) method, which incorporates expert knowledge through a novel graph-based regularization strategy within an MF framework. An efficient and sounded optimization algorithm is proposed to solve the resulting non-convex problem in an alternating fashion. The performance of the proposed method is evaluated through the DrugBank dataset, and comparisons are provided against state-of-the-art techniques. The results demonstrate the superior performance of GRPMF when compared to its counterparts.

Class imbalance has a detrimental effect on the predictive performance of most supervised learning algorithms as the imbalanced distribution can lead to a bias preferring the majority class. To solve this problem, we propose a Supervised Contrastive Learning (SCL) method with Bayesian optimization technique based on Tree-structured Parzen Estimator (TPE) for imbalanced tabular datasets. Compared with supervised learning, contrastive learning can avoid "label bias" by extracting the information hidden in data. Based on contrastive loss, SCL can exploit the label information to address insufficient data augmentation of tabular data, and is thus used in the proposed SCL-TPE method to learn a discriminative representation of data. Additionally, as the hyper-parameter temperature has a decisive influence on the SCL performance and is difficult to tune, TPE-based Bayesian optimization is introduced to automatically select the best temperature. Experiments are conducted on both binary and multi-class imbalanced tabular datasets. As shown in the results obtained, TPE outperforms other hyper-parameter optimization (HPO) methods such as grid search, random search, and genetic algorithm. More importantly, the proposed SCL-TPE method achieves much-improved performance compared with the state-of-the-art methods.

The Work Disability Functional Assessment Battery (WD-FAB) is a multidimensional item response theory (IRT) instrument designed for assessing work-related mental and physical function based on responses to an item bank. In prior iterations it was developed using traditional means -- linear factorization, followed by statistical testing for item selection, and finally, calibration of disjoint unidimensional IRT models. As a result, the WD-FAB, like many other IRT instruments, is a posthoc model. In this manuscript, we derive an interpretable probabilistic autoencoder architecture that embeds as the decoder a Bayesian hierarchical model for self-consistently performing the following simultaneous tasks: scale factorization, item selection, parameter identification, and response scoring. This method obviates the linear factorization and null hypothesis statistical tests that are usually required for developing multidimensional IRT models, so that partitioning is consistent with the ultimate nonlinear factor model. We use the method on WD-FAB item responses and compare the resulting item discriminations to those obtained using the traditional method.

However, the inferred attentions are vulnerable to spurious correlations and connectivity in the training data, hampering the generalizability of the model. We introduce CAR, a general-purpose regularization framework for graph attention networks. Embodying a causal inference approach, \methodname aligns the attention mechanism with the causal effects of active interventions on graph connectivity in a scalable manner. CAR is compatible with a variety of graph attention architectures, and we show that it systematically improves generalizability on various node classification tasks. Our ablation studies indicate that \methodname hones in on the aspects of graph structure most pertinent to the prediction (e.g., homophily), and does so more effectively than alternative approaches. Finally, we also show that CAR enhances interpretability of attention weights by accentuating node-neighbor relations that point to causal hypotheses. For social media network-sized graphs, a CAR-guided graph rewiring approach could allow us to combine the scalability of graph convolutional methods with the higher performance of graph attention.

We revisit binary decision trees from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. We consider three types of features: real-valued, categorical ordinal and categorical nominal, with different split rules for each. For each feature type, we upper bound the partitioning function of the class of decision stumps before extending the bounds to the class of general decision tree (of any fixed structure) using a recursive approach. Using these new results, we are able to find the exact VC dimension of decision stumps on examples of $\ell$ real-valued features, which is given by the largest integer $d$ such that $2\ell \ge \binom{d}{\lfloor\frac{d}{2}\rfloor}$. Furthermore, we show that the VC dimension of a binary tree structure with $L_T$ leaves on examples of $\ell$ real-valued features is in $O(L_T \log(L_T\ell))$. Finally, we elaborate a pruning algorithm based on these results that performs better than the cost-complexity and reduced-error pruning algorithms on a number of data sets, with the advantage that no cross-validation is required.

We propose an analysis in fair learning that preserves the utility of the data while reducing prediction disparities under the criteria of group sufficiency. We focus on the scenario where the data contains multiple or even many subgroups, each with limited number of samples. As a result, we present a principled method for learning a fair predictor for all subgroups via formulating it as a bilevel objective. Specifically, the subgroup specific predictors are learned in the lower-level through a small amount of data and the fair predictor. In the upper-level, the fair predictor is updated to be close to all subgroup specific predictors. We further prove that such a bilevel objective can effectively control the group sufficiency and generalization error. We evaluate the proposed framework on real-world datasets. Empirical evidence suggests the consistently improved fair predictions, as well as the comparable accuracy to the baselines.

Applications of Structural Health Monitoring (SHM) combined with Machine Learning (ML) techniques enhance real-time performance tracking and increase structural integrity awareness of civil, aerospace and automotive infrastructures. This SHM-ML synergy has gained popularity in the last years thanks to the anticipation of maintenance provided by arising ML algorithms and their ability of handling large quantities of data and considering their influence in the problem. In this paper we develop a novel ML nearest-neighbors-alike algorithm based on the principle of maximum entropy to predict fatigue damage (Palmgren-Miner index) in composite materials by processing the signals of Lamb Waves -- a non-destructive SHM technique -- with other meaningful features such as layup parameters and stiffness matrices calculated from the Classical Laminate Theory (CLT). The full data analysis cycle is applied to a dataset of delamination experiments in composites. The predictions achieve a good level of accuracy, similar to other ML algorithms, e.g. Neural Networks or Gradient-Boosted Trees, and computation times are of the same order of magnitude. The key advantages of our proposal are: (1) The automatic determination of all the parameters involved in the prediction, so no hyperparameters have to be set beforehand, which saves time devoted to hypertuning the model and also represents an advantage for autonomous, self-supervised SHM. (2) No training is required, which, in an \textit{online learning} context where streams of data are fed continuously to the model, avoids repeated training -- essential for reliable real-time, continuous monitoring.

Recently, there has been tremendous interest in industry 4.0 infrastructure to address labor shortages in global supply chains. Deploying artificial intelligence-enabled robotic bin picking systems in real world has become particularly important for reducing labor demands and costs while increasing efficiency. To this end, artificial intelligence-enabled robotic bin picking systems may be used to automate bin picking, but may also cause expensive damage during an abnormal event such as a sensor failure. As such, reliability becomes a critical factor for translating artificial intelligence research to real world applications and products. In this paper, we propose a reliable vision system with MultiModal Redundancy (MMRNet) for tackling object detection and segmentation for robotic bin picking using data from different modalities. This is the first system that introduces the concept of multimodal redundancy to combat sensor failure issues during deployment. In particular, we realize the multimodal redundancy framework with a gate fusion module and dynamic ensemble learning. Finally, we present a new label-free multimodal consistency score that utilizes the output from all modalities to measure the overall system output reliability and uncertainty. Through experiments, we demonstrate that in an event of missing modality, our system provides a much more reliable performance compared to baseline models. We also demonstrate that our MC score is a more powerful reliability indicator for outputs during inference time where model generated confidence score are often over-confident.

Federated learning is vulnerable to poisoning attacks in which malicious clients poison the global model via sending malicious model updates to the server. Existing defenses focus on preventing a small number of malicious clients from poisoning the global model via robust federated learning methods and detecting malicious clients when there are a large number of them. However, it is still an open challenge how to recover the global model from poisoning attacks after the malicious clients are detected. A naive solution is to remove the detected malicious clients and train a new global model from scratch, which incurs large cost that may be intolerable for resource-constrained clients such as smartphones and IoT devices. In this work, we propose FedRecover, which can recover an accurate global model from poisoning attacks with small cost for the clients. Our key idea is that the server estimates the clients' model updates instead of asking the clients to compute and communicate them during the recovery process. In particular, the server stores the global models and clients' model updates in each round, when training the poisoned global model. During the recovery process, the server estimates a client's model update in each round using its stored historical information. Moreover, we further optimize FedRecover to recover a more accurate global model using warm-up, periodic correction, abnormality fixing, and final tuning strategies, in which the server asks the clients to compute and communicate their exact model updates. Theoretically, we show that the global model recovered by FedRecover is close to or the same as that recovered by train-from-scratch under some assumptions. Empirically, our evaluation on four datasets, three federated learning methods, as well as untargeted and targeted poisoning attacks (e.g., backdoor attacks) shows that FedRecover is both accurate and efficient.

Exponential tilting is a technique commonly used in fields such as statistics, probability, information theory, and optimization to create parametric distribution shifts. Despite its prevalence in related fields, tilting has not seen widespread use in machine learning. In this work, we aim to bridge this gap by exploring the use of tilting in risk minimization. We study a simple extension to ERM -- tilted empirical risk minimization (TERM) -- which uses exponential tilting to flexibly tune the impact of individual losses. The resulting framework has several useful properties: We show that TERM can increase or decrease the influence of outliers, respectively, to enable fairness or robustness; has variance-reduction properties that can benefit generalization; and can be viewed as a smooth approximation to the tail probability of losses. Our work makes rigorous connections between TERM and related objectives, such as Value-at-Risk, Conditional Value-at-Risk, and distributionally robust optimization (DRO). We develop batch and stochastic first-order optimization methods for solving TERM, provide convergence guarantees for the solvers, and show that the framework can be efficiently solved relative to common alternatives. Finally, we demonstrate that TERM can be used for a multitude of applications in machine learning, such as enforcing fairness between subgroups, mitigating the effect of outliers, and handling class imbalance. Despite the straightforward modification TERM makes to traditional ERM objectives, we find that the framework can consistently outperform ERM and deliver competitive performance with state-of-the-art, problem-specific approaches.

Multi-modal retrieval is an important problem for many applications, such as recommendation and search. Current benchmarks and even datasets are often manually constructed and consist of mostly clean samples where all modalities are well-correlated with the content. Thus, current video-text retrieval literature largely focuses on video titles or audio transcripts, while ignoring user comments, since users often tend to discuss topics only vaguely related to the video. Despite the ubiquity of user comments online, there is currently no multi-modal representation learning datasets that includes comments. In this paper, we a) introduce a new dataset of videos, titles and comments; b) present an attention-based mechanism that allows the model to learn from sometimes irrelevant data such as comments; c) show that by using comments, our method is able to learn better, more contextualised, representations for image, video and audio representations. Project page: https://unitaryai.github.io/vtc-paper.

Gradient inversion attack enables recovery of training samples from model updates in federated learning (FL) and constitutes a serious threat to data privacy. To mitigate this vulnerability, prior work proposed both principled defenses based on differential privacy, as well as heuristic defenses based on gradient compression as countermeasures. These defenses have so far been very effective, in particular those based on gradient compression that allow the model to maintain high accuracy while greatly reducing the attack's effectiveness. In this work, we argue that such findings do not accurately reflect the privacy risk in FL, and show that existing defenses can be broken by a simple adaptive attack that trains a model using auxiliary data to learn how to invert gradients on both vision and language tasks.

Research question: How can we establish an AI support for reading of chest X-rays in clinical routine and which benefits emerge for the clinicians and radiologists. Can it perform 24/7 support for practicing clinicians? 2. Findings: We installed an AI solution for Chest X-ray in a given structure (MVZ Uhlenbrock & Partner, Germany). We could demonstrate the practicability, performance, and benefits in 10 connected clinical sites. 3. Meaning: A commercially available AI solution for the evaluation of Chest X-ray images is able to help radiologists and clinical colleagues 24/7 in a complex environment. The system performs in a robust manner, supporting radiologists and clinical colleagues in their important decisions, in practises and hospitals regardless of the user and X-ray system type producing the image-data.

Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to single-objective BO only seek to find a single best solution. This can be a significant limitation in situations where solutions may later turn out to be intractable. For example, a designed molecule may turn out to violate constraints that can only be reasonably evaluated after the optimization process has concluded. To address this issue, we propose Rank-Ordered Bayesian Optimization with Trust-regions (ROBOT) which aims to find a portfolio of high-performing solutions that are diverse according to a user-specified diversity metric. We evaluate ROBOT on several real-world applications and show that it can discover large sets of high-performing diverse solutions while requiring few additional function evaluations compared to finding a single best solution.

Large and diverse datasets have been the cornerstones of many impressive advancements in artificial intelligence. Intelligent creatures, however, learn by interacting with the environment, which changes the input sensory signals and the state of the environment. In this work, we aim to bring the best of both worlds and propose an algorithm that exhibits an exploratory behavior whilst it utilizes large diverse datasets. Our key idea is to leverage deep generative models that are pretrained on static datasets and introduce a dynamic model in the latent space. The transition dynamics simply mixes an action and a random sampled latent. It then applies an exponential moving average for temporal persistency, the resulting latent is decoded to image using pretrained generator. We then employ an unsupervised reinforcement learning algorithm to explore in this environment and perform unsupervised representation learning on the collected data. We further leverage the temporal information of this data to pair data points as a natural supervision for representation learning. Our experiments suggest that the learned representations can be successfully transferred to downstream tasks in both vision and reinforcement learning domains.

As machine learning becomes more widely adopted across domains, it is critical that researchers and ML engineers think about the inherent biases in the data that may be perpetuated by the model. Recently, many studies have shown that such biases are also imbibed in Graph Neural Network (GNN) models if the input graph is biased, potentially to the disadvantage of underserved and underrepresented communities. In this work, we aim to mitigate the bias learned by GNNs by jointly optimizing two different loss functions: one for the task of link prediction and one for the task of demographic parity. We further implement three different techniques inspired by graph modification approaches: the Global Fairness Optimization (GFO), Constrained Fairness Optimization (CFO), and Fair Edge Weighting (FEW) models. These techniques mimic the effects of changing underlying graph structures within the GNN and offer a greater degree of interpretability over more integrated neural network methods. Our proposed models emulate microscopic or macroscopic edits to the input graph while training GNNs and learn node embeddings that are both accurate and fair under the context of link recommendations. We demonstrate the effectiveness of our approach on four real world datasets and show that we can improve the recommendation fairness by several factors at negligible cost to link prediction accuracy.

Despite the stride made by machine learning (ML) based performance modeling, two major concerns that may impede production-ready ML applications in EDA are stringent accuracy requirements and generalization capability. To this end, we propose hybrid graph neural network (GNN) based approaches towards highly accurate quality-of-result (QoR) estimations with great generalization capability, specifically targeting logic synthesis optimization. The key idea is to simultaneously leverage spatio-temporal information from hardware designs and logic synthesis flows to forecast performance (i.e., delay/area) of various synthesis flows on different designs. The structural characteristics inside hardware designs are distilled and represented by GNNs; the temporal knowledge (i.e., relative ordering of logic transformations) in synthesis flows can be imposed on hardware designs by combining a virtually added supernode or a sequence processing model with conventional GNN models. Evaluation on 3.3 million data points shows that the testing mean absolute percentage error (MAPE) on designs seen and unseen during training are no more than 1.2% and 3.1%, respectively, which are 7-15X lower than existing studies.

Imitation learning offers a promising path for robots to learn general-purpose behaviors, but traditionally has exhibited limited scalability due to high data supervision requirements and brittle generalization. Inspired by recent advances in multi-task imitation learning, we investigate the use of prior data from previous tasks to facilitate learning novel tasks in a robust, data-efficient manner. To make effective use of the prior data, the robot must internalize knowledge from past experiences and contextualize this knowledge in novel tasks. To that end, we develop a skill-based imitation learning framework that extracts temporally extended sensorimotor skills from prior data and subsequently learns a policy for the target task that invokes these learned skills. We identify several key design choices that significantly improve performance on novel tasks, namely representation learning objectives to enable more predictable skill representations and a retrieval-based data augmentation mechanism to increase the scope of supervision for policy training. On a collection of simulated and real-world manipulation domains, we demonstrate that our method significantly outperforms existing imitation learning and offline reinforcement learning approaches. Videos and code are available at https://ut-austin-rpl.github.io/sailor

The electricity industry is heavily implementing smart grid technologies to improve reliability, availability, security, and efficiency. This implementation needs technological advancements, the development of standards and regulations, as well as testing and planning. Smart grid load forecasting and management are critical for reducing demand volatility and improving the market mechanism that connects generators, distributors, and retailers. During policy implementations or external interventions, it is necessary to analyse the uncertainty of their impact on the electricity demand to enable a more accurate response of the system to fluctuating demand. This paper analyses the uncertainties of external intervention impacts on electricity demand. It implements a framework that combines probabilistic and global forecasting models using a deep learning approach to estimate the causal impact distribution of an intervention. The causal effect is assessed by predicting the counterfactual distribution outcome for the affected instances and then contrasting it to the real outcomes. We consider the impact of Covid-19 lockdowns on energy usage as a case study to evaluate the non-uniform effect of this intervention on the electricity demand distribution. We could show that during the initial lockdowns in Australia and some European countries, there was often a more significant decrease in the troughs than in the peaks, while the mean remained almost unaffected.

In this paper, we introduce a novel artificial neural network (ANN) based scheme to estimate the thickness of thin films deposited on a given substrate. Here we consider the visible interference pattern between a plane wave and a diverging wave reflected from the thin film surface that records the thickness information of the thin film. We assume a uniform thickness profile of the film. However, the thickness increases as the deposition takes place. We extract the intensity data along a line through the center of the interference pattern. We train our network by using a number of such line information of known thickness profiles. The performance of the trained network is then tested by estimating the thickness of unknown surfaces. The numerical simulation results show that the proposed technique can be very much useful for automated measurement of thickness, quickly and in real time, during deposition

We propose multirate training of neural networks: partitioning neural network parameters into "fast" and "slow" parts which are trained on different time scales, where slow parts are updated less frequently. By choosing appropriate partitionings we can obtain substantial computational speed-up for transfer learning tasks. We show for applications in vision and NLP that we can fine-tune deep neural networks in almost half the time, without reducing the generalization performance of the resulting models. We analyze the convergence properties of our multirate scheme and draw a comparison with vanilla SGD. We also discuss splitting choices for the neural network parameters which could enhance generalization performance when neural networks are trained from scratch. A multirate approach can be used to learn different features present in the data and as a form of regularization. Our paper unlocks the potential of using multirate techniques for neural network training and provides several starting points for future work in this area.

A common approach to transfer learning under distribution shift is to fine-tune the last few layers of a pre-trained model, preserving learned features while also adapting to the new task. This paper shows that in such settings, selectively fine-tuning a subset of layers (which we term surgical fine-tuning) matches or outperforms commonly used fine-tuning approaches. Moreover, the type of distribution shift influences which subset is more effective to tune: for example, for image corruptions, fine-tuning only the first few layers works best. We validate our findings systematically across seven real-world data tasks spanning three types of distribution shifts. Theoretically, we prove that for two-layer neural networks in an idealized setting, first-layer tuning can outperform fine-tuning all layers. Intuitively, fine-tuning more parameters on a small target dataset can cause information learned during pre-training to be forgotten, and the relevant information depends on the type of shift.

An expeditious development of graph learning in recent years has found innumerable applications in several diversified fields. Of the main associated challenges are the volume and complexity of graph data. The graph learning models suffer from the inability to efficiently learn graph information. In order to indemnify this inefficacy, physics-informed graph learning (PIGL) is emerging. PIGL incorporates physics rules while performing graph learning, which has enormous benefits. This paper presents a systematic review of PIGL methods. We begin with introducing a unified framework of graph learning models followed by examining existing PIGL methods in relation to the unified framework. We also discuss several future challenges for PIGL. This survey paper is expected to stimulate innovative research and development activities pertaining to PIGL.

Deep neural network (DNN) and its variants have been extensively used for a wide spectrum of real applications such as image classification, face/speech recognition, fraud detection, and so on. In addition to many important machine learning tasks, as artificial networks emulating the way brain cells function, DNNs also show the capability of storing non-linear relationships between input and output data, which exhibits the potential of storing data via DNNs. We envision a new paradigm of data storage, "DNN-as-a-Database", where data are encoded in well-trained machine learning models. Compared with conventional data storage that directly records data in raw formats, learning-based structures (e.g., DNN) can implicitly encode data pairs of inputs and outputs and compute/materialize actual output data of different resolutions only if input data are provided. This new paradigm can greatly enhance the data security by allowing flexible data privacy settings on different levels, achieve low space consumption and fast computation with the acceleration of new hardware (e.g., Diffractive Neural Network and AI chips), and can be generalized to distributed DNN-based storage/computing. In this paper, we propose this novel concept of learning-based data storage, which utilizes a learning structure called learning-based memory unit (LMU), to store, organize, and retrieve data. As a case study, we use DNNs as the engine in the LMU, and study the data capacity and accuracy of the DNN-based data storage. Our preliminary experimental results show the feasibility of the learning-based data storage by achieving high (100%) accuracy of the DNN storage. We explore and design effective solutions to utilize the DNN-based data storage to manage and query relational tables. We discuss how to generalize our solutions to other data types (e.g., graphs) and environments such as distributed DNN storage/computing.

In this paper, we investigate a general class of stochastic gradient descent (SGD) algorithms, called conditioned SGD, based on a preconditioning of the gradient direction. Using a discrete-time approach with martingale tools, we establish the weak convergence of the rescaled sequence of iterates for a broad class of conditioning matrices including stochastic first-order and second-order methods. Almost sure convergence results, which may be of independent interest, are also presented. When the conditioning matrix is an estimate of the inverse Hessian, the algorithm is proved to be asymptotically optimal. For the sake of completeness, we provide a practical procedure to achieve this minimum variance.

As a booming research area in the past decade, deep learning technologies have been driven by big data collected and processed on an unprecedented scale. However, the sensitive information in the collected training data raises privacy concerns. Recent research indicated that deep learning models are vulnerable to various privacy attacks, including membership inference attacks, attribute inference attacks, and gradient inversion attacks. It is noteworthy that the performance of the attacks varies from model to model. In this paper, we conduct empirical analyses to answer a fundamental question: Does model architecture affect model privacy? We investigate several representative model architectures from CNNs to Transformers, and show that Transformers are generally more vulnerable to privacy attacks than CNNs. We further demonstrate that the micro design of activation layers, stem layers, and bias parameters, are the major reasons why CNNs are more resilient to privacy attacks than Transformers. We also find that the presence of attention modules is another reason why Transformers are more vulnerable to privacy attacks. We hope our discovery can shed some new light on how to defend against the investigated privacy attacks and help the community build privacy-friendly model architectures.

A confidence sequence (CS) is an anytime-valid sequential inference primitive which produces an adapted sequence of sets for a predictable parameter sequence with a time-uniform coverage guarantee. This work constructs a non-parametric non-asymptotic lower CS for the running average conditional expectation whose slack converges to zero given non-negative right heavy-tailed observations with bounded mean. Specifically, when the variance is finite the approach dominates the empirical Bernstein supermartingale of Howard et. al.; with infinite variance, can adapt to a known or unknown $(1 + \delta)$-th moment bound; and can be efficiently approximated using a sublinear number of sufficient statistics. In certain cases this lower CS can be converted into a closed-interval CS whose width converges to zero, e.g., any bounded realization, or post contextual-bandit inference with bounded rewards and unbounded importance weights. A reference implementation and example simulations demonstrate the technique.

Hypothesis testing and the usage of expert knowledge, or causal priors, has not been well explored in the context of generative models. We propose a novel set of generative architectures, Causal Gen and Causal Variational Gen, that can utilize nonparametric structural causal knowledge combined with a deep learning functional approximation. We show how, using a deliberate (non-random) split of training and testing data, these models can generalize better to similar, but out-of-distribution data points, than non-causal generative models and prediction models such as Variational autoencoders and Fully Connected Neural Networks. We explore using this generalization error as a proxy for causal model hypothesis testing. We further show how dropout can be used to learn functional relationships of structural models that are difficult to learn with traditional methods. We validate our methods on a synthetic pendulum dataset, as well as a trauma surgery ground level fall dataset.

Cyber-physical systems (CPS) and Internet-of-Things (IoT) devices are increasingly being deployed across multiple functionalities, ranging from healthcare devices and wearables to critical infrastructures, e.g., nuclear power plants, autonomous vehicles, smart cities, and smart homes. These devices are inherently not secure across their comprehensive software, hardware, and network stacks, thus presenting a large attack surface that can be exploited by hackers. In this article, we present an innovative technique for detecting unknown system vulnerabilities, managing these vulnerabilities, and improving incident response when such vulnerabilities are exploited. The novelty of this approach lies in extracting intelligence from known real-world CPS/IoT attacks, representing them in the form of regular expressions, and employing machine learning (ML) techniques on this ensemble of regular expressions to generate new attack vectors and security vulnerabilities. Our results show that 10 new attack vectors and 122 new vulnerability exploits can be successfully generated that have the potential to exploit a CPS or an IoT ecosystem. The ML methodology achieves an accuracy of 97.4% and enables us to predict these attacks efficiently with an 87.2% reduction in the search space. We demonstrate the application of our method to the hacking of the in-vehicle network of a connected car. To defend against the known attacks and possible novel exploits, we discuss a defense-in-depth mechanism for various classes of attacks and the classification of data targeted by such attacks. This defense mechanism optimizes the cost of security measures based on the sensitivity of the protected resource, thus incentivizing its adoption in real-world CPS/IoT by cybersecurity practitioners.

Two-stage robust optimization problems constitute one of the hardest optimization problem classes. One of the solution approaches to this class of problems is $K$-adaptability. This approach simultaneously seeks the best partitioning of the uncertainty set of scenarios into $K$ subsets, and optimizes decisions corresponding to each of these subsets. In general case, it is solved using the $K$-adaptability branch-and-bound algorithm, which requires exploration of exponentially-growing solution trees. To accelerate finding high-quality solutions in such trees, we propose a machine learning-based node selection strategy. In particular, we construct a feature engineering scheme based on general two-stage robust optimization insights that allows us to train our machine learning tool on a database of resolved B\&B trees, and to apply it as-is to problems of different sizes and/or types. We experimentally show that using our learned node selection strategy outperforms a vanilla, random node selection strategy when tested on problems of the same type as the training problems, also in case the $K$-value or the problem size differs from the training ones.

Due to depth ambiguities and occlusions, lifting 2D poses to 3D is a highly ill-posed problem. Well-calibrated distributions of possible poses can make these ambiguities explicit and preserve the resulting uncertainty for downstream tasks. This study shows that previous attempts, which account for these ambiguities via multiple hypotheses generation, produce miscalibrated distributions. We identify that miscalibration can be attributed to the use of sample-based metrics such as minMPJPE. In a series of simulations, we show that minimizing minMPJPE, as commonly done, should converge to the correct mean prediction. However, it fails to correctly capture the uncertainty, thus resulting in a miscalibrated distribution. To mitigate this problem, we propose an accurate and well-calibrated model called Conditional Graph Normalizing Flow (cGNFs). Our model is structured such that a single cGNF can estimate both conditional and marginal densities within the same model - effectively solving a zero-shot density estimation problem. We evaluate cGNF on the Human~3.6M dataset and show that cGNF provides a well-calibrated distribution estimate while being close to state-of-the-art in terms of overall minMPJPE. Furthermore, cGNF outperforms previous methods on occluded joints while it remains well-calibrated.

The International Atomic Energy Agency (IAEA) stopping power database is a highly valued public resource compiling most of the experimental measurements published over nearly a century. The database -- accessible to the global scientific community -- is continuously updated and has been extensively employed in theoretical and experimental research for more than thirty years. This work aims to employ machine learning algorithms on the 2021 IAEA database to predict accurate electronic stopping power cross sections for any ion and target combination in a wide range of incident energies. Unsupervised machine learning methods are applied to clean the database in an automated manner. These techniques purge the data by removing suspicious outliers and old isolated values. A large portion of the remaining data is used to train a deep neural network, while the rest is set aside, constituting the test set. The present work considers collisional systems only with atomic targets. The first version of the electronic stopping power neural network code (espnn), openly available to users, is shown to yield predicted values in excellent agreement with the experimental results of the test set.

Neural networks have revolutionized the field of machine learning with increased predictive capability. In addition to improving the predictions of neural networks, there is a simultaneous demand for reliable uncertainty quantification on estimates made by machine learning methods such as neural networks. Bayesian neural networks (BNNs) are an important type of neural network with built-in capability for quantifying uncertainty. This paper discusses aleatoric and epistemic uncertainty in BNNs and how they can be calculated. With an example dataset of images where the goal is to identify the amplitude of an event in the image, it is shown that epistemic uncertainty tends to be lower in images which are well-represented in the training dataset and tends to be high in images which are not well-represented. An algorithm for out-of-distribution (OoD) detection with BNN epistemic uncertainty is introduced along with various experiments demonstrating factors influencing the OoD detection capability in a BNN. The OoD detection capability with epistemic uncertainty is shown to be comparable to the OoD detection in the discriminator network of a generative adversarial network (GAN) with comparable network architecture.

We propose a generalization of the synthetic control and synthetic interventions methodology to the dynamic treatment regime. We consider the estimation of unit-specific treatment effects from panel data collected via a dynamic treatment regime and in the presence of unobserved confounding. That is, each unit receives multiple treatments sequentially, based on an adaptive policy, which depends on a latent endogenously time-varying confounding state of the treated unit. Under a low-rank latent factor model assumption and a technical overlap assumption we propose an identification strategy for any unit-specific mean outcome under any sequence of interventions. The latent factor model we propose admits linear time-varying and time-invariant dynamical systems as special cases. Our approach can be seen as an identification strategy for structural nested mean models under a low-rank latent factor assumption on the blip effects. Our method, which we term "synthetic blip effects", is a backwards induction process, where the blip effect of a treatment at each period and for a target unit is recursively expressed as linear combinations of blip effects of a carefully chosen group of other units that received the designated treatment. Our work avoids the combinatorial explosion in the number of units that would be required by a vanilla application of prior synthetic control and synthetic intervention methods in such dynamic treatment regime settings.

Deep Learning-based image synthesis techniques have been applied in healthcare research for generating medical images to support open research and augment medical datasets. Training generative adversarial neural networks (GANs) usually require large amounts of training data. Federated learning (FL) provides a way of training a central model using distributed data while keeping raw data locally. However, given that the FL server cannot access the raw data, it is vulnerable to backdoor attacks, an adversarial by poisoning training data. Most backdoor attack strategies focus on classification models and centralized domains. It is still an open question if the existing backdoor attacks can affect GAN training and, if so, how to defend against the attack in the FL setting. In this work, we investigate the overlooked issue of backdoor attacks in federated GANs (FedGANs). The success of this attack is subsequently determined to be the result of some local discriminators overfitting the poisoned data and corrupting the local GAN equilibrium, which then further contaminates other clients when averaging the generator's parameters and yields high generator loss. Therefore, we proposed FedDetect, an efficient and effective way of defending against the backdoor attack in the FL setting, which allows the server to detect the client's adversarial behavior based on their losses and block the malicious clients. Our extensive experiments on two medical datasets with different modalities demonstrate the backdoor attack on FedGANs can result in synthetic images with low fidelity. After detecting and suppressing the detected malicious clients using the proposed defense strategy, we show that FedGANs can synthesize high-quality medical datasets (with labels) for data augmentation to improve classification models' performance.

Federated learning (FL) allows participants to collaboratively train machine and deep learning models while protecting data privacy. However, the FL paradigm still presents drawbacks affecting its trustworthiness since malicious participants could launch adversarial attacks against the training process. Related work has studied the robustness of horizontal FL scenarios under different attacks. However, there is a lack of work evaluating the robustness of decentralized vertical FL and comparing it with horizontal FL architectures affected by adversarial attacks. Thus, this work proposes three decentralized FL architectures, one for horizontal and two for vertical scenarios, namely HoriChain, VertiChain, and VertiComb. These architectures present different neural networks and training protocols suitable for horizontal and vertical scenarios. Then, a decentralized, privacy-preserving, and federated use case with non-IID data to classify handwritten digits is deployed to evaluate the performance of the three architectures. Finally, a set of experiments computes and compares the robustness of the proposed architectures when they are affected by different data poisoning based on image watermarks and gradient poisoning adversarial attacks. The experiments show that even though particular configurations of both attacks can destroy the classification performance of the architectures, HoriChain is the most robust one.

We propose a framework to enable multipurpose assistive mobile robots to autonomously wipe tables to clean spills and crumbs. This problem is challenging, as it requires planning wiping actions while reasoning over uncertain latent dynamics of crumbs and spills captured via high-dimensional visual observations. Simultaneously, we must guarantee constraints satisfaction to enable safe deployment in unstructured cluttered environments. To tackle this problem, we first propose a stochastic differential equation to model crumbs and spill dynamics and absorption with a robot wiper. Using this model, we train a vision-based policy for planning wiping actions in simulation using reinforcement learning (RL). To enable zero-shot sim-to-real deployment, we dovetail the RL policy with a whole-body trajectory optimization framework to compute base and arm joint trajectories that execute the desired wiping motions while guaranteeing constraints satisfaction. We extensively validate our approach in simulation and on hardware. Video: https://youtu.be/inORKP4F3EI

This paper integrates manifold learning techniques within a \emph{Gaussian process upper confidence bound} algorithm to optimize an objective function on a manifold. Our approach is motivated by applications where a full representation of the manifold is not available and querying the objective is expensive. We rely on a point cloud of manifold samples to define a graph Gaussian process surrogate model for the objective. Query points are sequentially chosen using the posterior distribution of the surrogate model given all previous queries. We establish regret bounds in terms of the number of queries and the size of the point cloud. Several numerical examples complement the theory and illustrate the performance of our method.

Recently, adversarial imitation learning has shown a scalable reward acquisition method for inverse reinforcement learning (IRL) problems. However, estimated reward signals often become uncertain and fail to train a reliable statistical model since the existing methods tend to solve hard optimization problems directly. Inspired by a first-order optimization method called mirror descent, this paper proposes to predict a sequence of reward functions, which are iterative solutions for a constrained convex problem. IRL solutions derived by mirror descent are tolerant to the uncertainty incurred by target density estimation since the amount of reward learning is regulated with respect to local geometric constraints. We prove that the proposed mirror descent update rule ensures robust minimization of a Bregman divergence in terms of a rigorous regret bound of $\mathcal{O}(1/T)$ for step sizes $\{\eta_t\}_{t=1}^{T}$. Our IRL method was applied on top of an adversarial framework, and it outperformed existing adversarial methods in an extensive suite of benchmarks.

Data augmentation is a ubiquitous technique used to provide robustness to automatic speech recognition (ASR) training. However, even as so much of the ASR training process has become automated and more "end-to-end", the data augmentation policy (what augmentation functions to use, and how to apply them) remains hand-crafted. We present Graph-Augment, a technique to define the augmentation space as directed acyclic graphs (DAGs) and search over this space to optimize the augmentation policy itself. We show that given the same computational budget, policies produced by G-Augment are able to perform better than SpecAugment policies obtained by random search on fine-tuning tasks on CHiME-6 and AMI. G-Augment is also able to establish a new state-of-the-art ASR performance on the CHiME-6 evaluation set (30.7% WER). We further demonstrate that G-Augment policies show better transfer properties across warm-start to cold-start training and model size compared to random-searched SpecAugment policies.

Many existing works on singing voice conversion (SVC) require clean recordings of target singer's voice for training. However, it is often difficult to collect them in advance and singing voices are often distorted with reverb and accompaniment music. In this work, we propose robust one-shot SVC (ROSVC) that performs any-to-any SVC robustly even on such distorted singing voices using less than 10s of a reference voice. To this end, we propose two-stage training method called Robustify. In the first stage, a novel one-shot SVC model based on a generative adversarial network is trained on clean data to ensure high-quality conversion. In the second stage, enhancement modules are introduced to the encoders of the model to improve the robustness against distortions in the feature space. Experimental results show that the proposed method outperforms one-shot SVC baselines for both seen and unseen singers and greatly improves the robustness against the distortions.

Scene Text Recognition (STR) models have achieved high performance in recent years on benchmark datasets where text images are presented with minimal noise. Traditional STR recognition pipelines take a cropped image as sole input and attempt to identify the characters present. This infrastructure can fail in instances where the input image is noisy or the text is partially obscured. This paper proposes using semantic information from the greater scene to contextualise predictions. We generate semantic vectors using object tags and fuse this information into a transformer-based architecture. The results demonstrate that our multimodal approach yields higher performance than traditional benchmark models, particularly on noisy instances.

Exponential tilting is a technique commonly used in fields such as statistics, probability, information theory, and optimization to create parametric distribution shifts. Despite its prevalence in related fields, tilting has not seen widespread use in machine learning. In this work, we aim to bridge this gap by exploring the use of tilting in risk minimization. We study a simple extension to ERM -- tilted empirical risk minimization (TERM) -- which uses exponential tilting to flexibly tune the impact of individual losses. The resulting framework has several useful properties: We show that TERM can increase or decrease the influence of outliers, respectively, to enable fairness or robustness; has variance-reduction properties that can benefit generalization; and can be viewed as a smooth approximation to the tail probability of losses. Our work makes rigorous connections between TERM and related objectives, such as Value-at-Risk, Conditional Value-at-Risk, and distributionally robust optimization (DRO). We develop batch and stochastic first-order optimization methods for solving TERM, provide convergence guarantees for the solvers, and show that the framework can be efficiently solved relative to common alternatives. Finally, we demonstrate that TERM can be used for a multitude of applications in machine learning, such as enforcing fairness between subgroups, mitigating the effect of outliers, and handling class imbalance. Despite the straightforward modification TERM makes to traditional ERM objectives, we find that the framework can consistently outperform ERM and deliver competitive performance with state-of-the-art, problem-specific approaches.

Recently used in various machine learning contexts, the Gromov-Wasserstein distance (GW) allows for comparing distributions whose supports do not necessarily lie in the same metric space. However, this Optimal Transport (OT) distance requires solving a complex non convex quadratic program which is most of the time very costly both in time and memory. Contrary to GW, the Wasserstein distance (W) enjoys several properties (e.g. duality) that permit large scale optimization. Among those, the solution of W on the real line, that only requires sorting discrete samples in 1D, allows defining the Sliced Wasserstein (SW) distance. This paper proposes a new divergence based on GW akin to SW. We first derive a closed form for GW when dealing with 1D distributions, based on a new result for the related quadratic assignment problem. We then define a novel OT discrepancy that can deal with large scale distributions via a slicing approach and we show how it relates to the GW distance while being $O(n\log(n))$ to compute. We illustrate the behavior of this so called Sliced Gromov-Wasserstein (SGW) discrepancy in experiments where we demonstrate its ability to tackle similar problems as GW while being several order of magnitudes faster to compute.

The task of ranking individuals or teams, based on a set of comparisons between pairs, arises in various contexts, including sporting competitions and the analysis of dominance hierarchies among animals and humans. Given data on which competitors beat which others, the challenge is to rank the competitors from best to worst. Here we study the problem of computing rankings when there are multiple, potentially conflicting modes of comparison, such as multiple types of dominance behaviors among animals. We assume that we do not know a priori what information each behavior conveys about the ranking, or even whether they convey any information at all. Nonetheless we show that it is possible to compute a ranking in this situation and present a fast method for doing so, based on a combination of an expectation-maximization algorithm and a modified Bradley-Terry model. We give a selection of example applications to both animal and human competition.

Two linearly uncorrelated binary variables must be also independent because non-linear dependence cannot manifest with only two possible states. This inherent linearity is the atom of dependency constituting any complex form of relationship. Inspired by this observation, we develop a framework called binary expansion linear effect (BELIEF) for assessing and understanding arbitrary relationships with a binary outcome. Models from the BELIEF framework are easily interpretable because they describe the association of binary variables in the language of linear models, yielding convenient theoretical insight and striking parallels with the Gaussian world. In particular, an algebraic structure on the predictors with nonzero slopes governs conditional independence properties. With BELIEF, one may study generalized linear models (GLM) through transparent linear models, providing insight into how modeling is affected by the choice of link. For example, setting a GLM interaction coefficient to zero does not necessarily lead to the kind of no-interaction model assumption as understood under their linear model counterparts. Furthermore, for a binary response, maximum likelihood estimation for GLMs paradoxically fails under complete separation, when the data are most discriminative, whereas BELIEF estimation automatically reveals the perfect predictor in the data that is responsible for complete separation. We explore these phenomena and provide a host of related theoretical results. We also provide preliminary empirical demonstration and verification of some theoretical results.

We revisit binary decision trees from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. We consider three types of features: real-valued, categorical ordinal and categorical nominal, with different split rules for each. For each feature type, we upper bound the partitioning function of the class of decision stumps before extending the bounds to the class of general decision tree (of any fixed structure) using a recursive approach. Using these new results, we are able to find the exact VC dimension of decision stumps on examples of $\ell$ real-valued features, which is given by the largest integer $d$ such that $2\ell \ge \binom{d}{\lfloor\frac{d}{2}\rfloor}$. Furthermore, we show that the VC dimension of a binary tree structure with $L_T$ leaves on examples of $\ell$ real-valued features is in $O(L_T \log(L_T\ell))$. Finally, we elaborate a pruning algorithm based on these results that performs better than the cost-complexity and reduced-error pruning algorithms on a number of data sets, with the advantage that no cross-validation is required.

We apply the PAC-Bayes theory to the setting of learning-to-optimize. To the best of our knowledge, we present the first framework to learn optimization algorithms with provable generalization guarantees (PAC-bounds) and explicit trade-off between a high probability of convergence and a high convergence speed. Even in the limit case, where convergence is guaranteed, our learned optimization algorithms provably outperform related algorithms based on a (deterministic) worst-case analysis. Our results rely on PAC-Bayes bounds for general, unbounded loss-functions based on exponential families. By generalizing existing ideas, we reformulate the learning procedure into a one-dimensional minimization problem and study the possibility to find a global minimum, which enables the algorithmic realization of the learning procedure. As a proof-of-concept, we learn hyperparameters of standard optimization algorithms to empirically underline our theory.

Real world datasets contain incorrectly labeled instances that hamper the performance of the model and, in particular, the ability to generalize out of distribution. Also, each example might have different contribution towards learning. This motivates studies to better understanding of the role of data instances with respect to their contribution in good metrics in models. In this paper we propose a method based on metrics computed from training dynamics of Gradient Boosting Decision Trees (GBDTs) to assess the behavior of each training example. We focus on datasets containing mostly tabular or structured data, for which the use of Decision Trees ensembles are still the state-of-the-art in terms of performance. We show results on detecting noisy labels in order to either remove them, improving models' metrics in synthetic and real datasets, as well as a productive dataset. Our methods achieved the best results overall when compared with confident learning and heuristics.

We propose multirate training of neural networks: partitioning neural network parameters into "fast" and "slow" parts which are trained on different time scales, where slow parts are updated less frequently. By choosing appropriate partitionings we can obtain substantial computational speed-up for transfer learning tasks. We show for applications in vision and NLP that we can fine-tune deep neural networks in almost half the time, without reducing the generalization performance of the resulting models. We analyze the convergence properties of our multirate scheme and draw a comparison with vanilla SGD. We also discuss splitting choices for the neural network parameters which could enhance generalization performance when neural networks are trained from scratch. A multirate approach can be used to learn different features present in the data and as a form of regularization. Our paper unlocks the potential of using multirate techniques for neural network training and provides several starting points for future work in this area.

We compute exact values respectively bounds of "distances" - in the sense of (transforms of) power divergences and relative entropy - between two discrete-time Galton-Watson branching processes with immigration GWI for which the offspring as well as the immigration is arbitrarily Poisson-distributed (leading to arbitrary type of criticality). Implications for asymptotic distinguishability behaviour in terms of contiguity and entire separation of the involved GWI are given, too. Furthermore, we determine the corresponding limit quantities for the context in which the two GWI converge to Feller-type branching diffusion processes, as the time-lags between observations tend to zero. Some applications to (static random environment like) Bayesian decision making and Neyman-Pearson testing are presented as well.

Supervised Causal Learning (SCL) aims to learn causal relations from observational data by accessing previously seen datasets associated with ground truth causal relations. This paper presents a first attempt at addressing a fundamental question: What are the benefits from supervision and how does it benefit? Starting from seeing that SCL is not better than random guessing if the learning target is non-identifiable a priori, we propose a two-phase paradigm for SCL by explicitly considering structure identifiability. Following this paradigm, we tackle the problem of SCL on discrete data and propose ML4C. The core of ML4C is a binary classifier with a novel learning target: it classifies whether an Unshielded Triple (UT) is a v-structure or not. Specifically, starting from an input dataset with the corresponding skeleton provided, ML4C orients each UT once it is classified as a v-structure. These v-structures are together used to construct the final output. To address the fundamental question of SCL, we propose a principled method for ML4C featurization: we exploit the vicinity of a given UT (i.e., the neighbors of UT in skeleton), and derive features by considering the conditional dependencies and structural entanglement within the vicinity. We further prove that ML4C is asymptotically correct. Last but foremost, thorough experiments conducted on benchmark datasets demonstrate that ML4C remarkably outperforms other state-of-the-art algorithms in terms of accuracy, reliability, robustness and tolerance. In summary, ML4C shows promising results on validating the effectiveness of supervision for causal learning. Our codes are publicly available at https://github.com/microsoft/ML4C.

Volatility clustering is a common phenomenon in financial time series. Typically, linear models can be used to describe the temporal autocorrelation of the (logarithmic) variance of returns. Considering the difficulty in estimating this model, we construct a Dynamic Bayesian Network, which utilizes the conjugate prior relation of normal-gamma and gamma-gamma, so that its posterior form locally remains unchanged at each node. This makes it possible to find approximate solutions using variational methods quickly. Furthermore, we ensure that the volatility expressed by the model is an independent incremental process after inserting dummy gamma nodes between adjacent time steps. We have found that this model has two advantages: 1) It can be proved that it can express heavier tails than Gaussians, i.e., have positive excess kurtosis, compared to popular linear models. 2) If the variational inference(VI) is used for state estimation, it runs much faster than Monte Carlo(MC) methods since the calculation of the posterior uses only basic arithmetic operations. And its convergence process is deterministic. We tested the model, named Gam-Chain, using recent Crypto, Nasdaq, and Forex records of varying resolutions. The results show that: 1) In the same case of using MC, this model can achieve comparable state estimation results with the regular lognormal chain. 2) In the case of only using VI, this model can obtain accuracy that are slightly worse than MC, but still acceptable in practice; 3) Only using VI, the running time of Gam-Chain, in general case, can be reduced to below 5% of that based on the lognormal chain via MC.

We present and analyze the Krylov-Bellman Boosting (KBB) algorithm for policy evaluation in general state spaces. It alternates between fitting the Bellman residual using non-parametric regression (as in boosting), and estimating the value function via the least-squares temporal difference (LSTD) procedure applied with a feature set that grows adaptively over time. By exploiting the connection to Krylov methods, we equip this method with two attractive guarantees. First, we provide a general convergence bound that allows for separate estimation errors in residual fitting and LSTD computation. Consistent with our numerical experiments, this bound shows that convergence rates depend on the restricted spectral structure, and are typically super-linear. Second, by combining this meta-result with sample-size dependent guarantees for residual fitting and LSTD computation, we obtain concrete statistical guarantees that depend on the sample size along with the complexity of the function class used to fit the residuals. We illustrate the behavior of the KBB algorithm for various types of policy evaluation problems, and typically find large reductions in sample complexity relative to the standard approach of fitted value iterationn.

The problem of attempting to learn the mapping between data and labels is the crux of any machine learning task. It is, therefore, of interest to the machine learning community on practical as well as theoretical counts to consider the existence of a test or criterion for deciding the feasibility of attempting to learn. We investigate the existence of such a criterion in the setting of PAC-learning, basing the feasibility solely on whether the mapping to be learnt lends itself to approximation by a given class of hypothesis functions. We show that no such criterion exists, exposing a fundamental limitation in the decidability of learning. In other words, we prove that testing for PAC-learnability is undecidable in the Turing sense. We also briefly discuss some of the probable implications of this result to the current practice of machine learning.

Predictive multiplicity occurs when classification models with statistically indistinguishable performances assign conflicting predictions to individual samples. When used for decision-making in applications of consequence (e.g., lending, education, criminal justice), models developed without regard for predictive multiplicity may result in unjustified and arbitrary decisions for specific individuals. We introduce a new metric, called Rashomon Capacity, to measure predictive multiplicity in probabilistic classification. Prior metrics for predictive multiplicity focus on classifiers that output thresholded (i.e., 0-1) predicted classes. In contrast, Rashomon Capacity applies to probabilistic classifiers, capturing more nuanced score variations for individual samples. We provide a rigorous derivation for Rashomon Capacity, argue its intuitive appeal, and demonstrate how to estimate it in practice. We show that Rashomon Capacity yields principled strategies for disclosing conflicting models to stakeholders. Our numerical experiments illustrate how Rashomon Capacity captures predictive multiplicity in various datasets and learning models, including neural networks. The tools introduced in this paper can help data scientists measure and report predictive multiplicity prior to model deployment.

In this note we demonstrate provable convergence of SGD to the global minima of appropriately regularized $\ell_2-$empirical risk of depth $2$ nets -- for arbitrary data and with any number of gates, if they are using adequately smooth and bounded activations like sigmoid and tanh. We build on the results in [1] and leverage a constant amount of Frobenius norm regularization on the weights, along with sampling of the initial weights from an appropriate distribution. We also give a continuous time SGD convergence result that also applies to smooth unbounded activations like SoftPlus. Our key idea is to show the existence loss functions on constant sized neural nets which are "Villani Functions".

In this paper, we investigate a novel problem of building contextual bandits in the vertical federated setting, i.e., contextual information is vertically distributed over different departments. This problem remains largely unexplored in the research community. To this end, we carefully design a customized encryption scheme named orthogonal matrix-based mask mechanism(O3M) for encrypting local contextual information while avoiding expensive conventional cryptographic techniques. We further apply the mechanism to two commonly-used bandit algorithms, LinUCB and LinTS, and instantiate two practical protocols for online recommendation under the vertical federated setting. The proposed protocols can perfectly recover the service quality of centralized bandit algorithms while achieving a satisfactory runtime efficiency, which is theoretically proved and analyzed in this paper. By conducting extensive experiments on both synthetic and real-world datasets, we show the superiority of the proposed method in terms of privacy protection and recommendation performance.

State-of-the-art machine learning models can be vulnerable to very small input perturbations that are adversarially constructed. Adversarial training is an effective approach to defend against such examples. It is formulated as a min-max problem, searching for the best solution when the training data was corrupted by the worst-case attacks. For linear regression problems, adversarial training can be formulated as a convex problem. We use this reformulation to make two technical contributions: First, we formulate the training problem as an instance of robust regression to reveal its connection to parameter-shrinking methods, specifically that $\ell_\infty$-adversarial training produces sparse solutions. Secondly, we study adversarial training in the overparameterized regime, i.e. when there are more parameters than data. We prove that adversarial training with small disturbances gives the solution with the minimum-norm that interpolates the training data. Ridge regression and lasso approximate such interpolating solutions as their regularization parameter vanishes. By contrast, for adversarial training, the transition into the interpolation regime is abrupt and for non-zero values of disturbance. This result is proved and illustrated with numerical examples.

We propose a general method for constructing hypothesis tests and confidence sets that have finite sample guarantees without regularity conditions. We refer to such procedures as "universal." The method is very simple and is based on a modified version of the usual likelihood ratio statistic, that we call "the split likelihood ratio test" (split LRT). The method is especially appealing for irregular statistical models. Canonical examples include mixture models and models that arise in shape-constrained inference. Constructing tests and confidence sets for such models is notoriously difficult. Typical inference methods, like the likelihood ratio test, are not useful in these cases because they have intractable limiting distributions. In contrast, the method we suggest works for any parametric model and also for some nonparametric models. The split LRT can also be used with profile likelihoods to deal with nuisance parameters, and it can also be run sequentially to yield anytime-valid $p$-values and confidence sequences.

When utilising PAC-Bayes theory for risk certification, it is usually necessary to estimate and bound the Gibbs risk of the PAC-Bayes posterior. Many works in the literature employ a method for this which requires a large number of passes of the dataset, incurring high computational cost. This manuscript presents a very general alternative which makes computational savings on the order of the dataset size.

Many classification problems consider classes that form a hierarchy. Classifiers that are aware of this hierarchy may be able to make confident predictions at a coarse level despite being uncertain at the fine-grained level. While it is generally possible to vary the granularity of predictions using a threshold at inference time, most contemporary work considers only leaf-node prediction, and almost no prior work has compared methods at multiple operating points. We present an efficient algorithm to produce operating characteristic curves for any method that assigns a score to every class in the hierarchy. Applying this technique to evaluate existing methods reveals that top-down classifiers are dominated by a naive flat softmax classifier across the entire operating range. We further propose two novel loss functions and show that a soft variant of the structured hinge loss is able to significantly outperform the flat baseline. Finally, we investigate the poor accuracy of top-down classifiers and demonstrate that they perform relatively well on unseen classes. Code is available online at https://github.com/jvlmdr/hiercls.

The mean field variational inference (MFVI) formulation restricts the general Bayesian inference problem to the subspace of product measures. We present a framework to analyze MFVI algorithms, which is inspired by a similar development for general variational Bayesian formulations. Our approach enables the MFVI problem to be represented in three different manners: a gradient flow on Wasserstein space, a system of Fokker-Planck-like equations and a diffusion process. Rigorous guarantees are established to show that a time-discretized implementation of the coordinate ascent variational inference algorithm in the product Wasserstein space of measures yields a gradient flow in the limit. A similar result is obtained for their associated densities, with the limit being given by a quasi-linear partial differential equation. A popular class of practical algorithms falls in this framework, which provides tools to establish convergence. We hope this framework could be used to guarantee convergence of algorithms in a variety of approaches, old and new, to solve variational inference problems.

We study the generalisation properties of majority voting on finite ensembles of classifiers, proving margin-based generalisation bounds via the PAC-Bayes theory. These provide state-of-the-art guarantees on a number of classification tasks. Our central results leverage the Dirichlet posteriors studied recently by Zantedeschi et al. [2021] for training voting classifiers; in contrast to that work our bounds apply to non-randomised votes via the use of margins. Our contributions add perspective to the debate on the "margins theory" proposed by Schapire et al. [1998] for the generalisation of ensemble classifiers.

Voice conversion is a task to convert a non-linguistic feature of a given utterance. Since naturalness of speech strongly depends on its pitch pattern, in some applications, it would be desirable to keep the original rise/fall pitch pattern while changing the speaker identity. Some of the existing methods address this problem by either using a source-filter model or developing a neural network that takes an F0 pattern as input to the model. Although the latter approach can achieve relatively high sound quality compared to the former one, there is no consideration for discrepancy between the target and generated F0 patterns in its training process. In this paper, we propose a new variational-autoencoder-based voice conversion model accompanied by an auxiliary network, which ensures that the conversion result correctly reflects the specified F0/timbre information. We show the effectiveness of the proposed method by objective and subjective evaluations.

As a booming research area in the past decade, deep learning technologies have been driven by big data collected and processed on an unprecedented scale. However, the sensitive information in the collected training data raises privacy concerns. Recent research indicated that deep learning models are vulnerable to various privacy attacks, including membership inference attacks, attribute inference attacks, and gradient inversion attacks. It is noteworthy that the performance of the attacks varies from model to model. In this paper, we conduct empirical analyses to answer a fundamental question: Does model architecture affect model privacy? We investigate several representative model architectures from CNNs to Transformers, and show that Transformers are generally more vulnerable to privacy attacks than CNNs. We further demonstrate that the micro design of activation layers, stem layers, and bias parameters, are the major reasons why CNNs are more resilient to privacy attacks than Transformers. We also find that the presence of attention modules is another reason why Transformers are more vulnerable to privacy attacks. We hope our discovery can shed some new light on how to defend against the investigated privacy attacks and help the community build privacy-friendly model architectures.

Deep classifiers are known to rely on spurious features $\unicode{x2013}$ patterns which are correlated with the target on the training data but not inherently relevant to the learning problem, such as the image backgrounds when classifying the foregrounds. In this paper we evaluate the amount of information about the core (non-spurious) features that can be decoded from the representations learned by standard empirical risk minimization (ERM) and specialized group robustness training. Following recent work on Deep Feature Reweighting (DFR), we evaluate the feature representations by re-training the last layer of the model on a held-out set where the spurious correlation is broken. On multiple vision and NLP problems, we show that the features learned by simple ERM are highly competitive with the features learned by specialized group robustness methods targeted at reducing the effect of spurious correlations. Moreover, we show that the quality of learned feature representations is greatly affected by the design decisions beyond the training method, such as the model architecture and pre-training strategy. On the other hand, we find that strong regularization is not necessary for learning high quality feature representations. Finally, using insights from our analysis, we significantly improve upon the best results reported in the literature on the popular Waterbirds, CelebA hair color prediction and WILDS-FMOW problems, achieving 97%, 92% and 50% worst-group accuracies, respectively.

We study the classical problem of deriving minimax rates for density estimation over convex density classes. Building on the pioneering work of Le Cam (1973), Birge (1983, 1986), Wong and Shen (1995), Yang and Barron (1999), we determine the exact (up to constants) minimax rate over any convex density class. This work thus extends these known results by demonstrating that the local metric entropy of the density class always captures the minimax optimal rates under such settings. Our bounds provide a unifying perspective across both parametric and nonparametric convex density classes, under weaker assumptions on the richness of the density class than previously considered. Our proposed `multistage sieve' MLE applies to any such convex density class. We apply our risk bounds to rederive known minimax rates including bounded total variation, and Holder density classes. We further illustrate the utility of the result by deriving upper bounds for less studied classes, e.g., convex mixture of densities.

When robots enter everyday human environments, they need to understand their tasks and how they should perform those tasks. To encode these, reward functions, which specify the objective of a robot, are employed. However, designing reward functions can be extremely challenging for complex tasks and environments. A promising approach is to learn reward functions from humans. Recently, several robot learning works embrace this approach and leverage human demonstrations to learn the reward functions. Known as inverse reinforcement learning, this approach relies on a fundamental assumption: humans can provide near-optimal demonstrations to the robot. Unfortunately, this is rarely the case: human demonstrations to the robot are often suboptimal due to various reasons, e.g., difficulty of teleoperation, robot having high degrees of freedom, or humans' cognitive limitations. This thesis is an attempt towards learning reward functions from human users by using other, more reliable data modalities. Specifically, we study how reward functions can be learned using comparative feedback, in which the human user compares multiple robot trajectories instead of (or in addition to) providing demonstrations. To this end, we first propose various forms of comparative feedback, e.g., pairwise comparisons, best-of-many choices, rankings, scaled comparisons; and describe how a robot can use these various forms of human feedback to infer a reward function, which may be parametric or non-parametric. Next, we propose active learning techniques to enable the robot to ask for comparison feedback that optimizes for the expected information that will be gained from that user feedback. Finally, we demonstrate the applicability of our methods in a wide variety of domains, ranging from autonomous driving simulations to home robotics, from standard reinforcement learning benchmarks to lower-body exoskeletons.

Causal discovery aims to recover causal structures generating the observational data. Despite its success in certain problems, in many real-world scenarios the observed variables are not the target variables of interest, but the imperfect measures of the target variables. Causal discovery under measurement error aims to recover the causal graph among unobserved target variables from observations made with measurement error. We consider a specific formulation of the problem, where the unobserved target variables follow a linear non-Gaussian acyclic model, and the measurement process follows the random measurement error model. Existing methods on this formulation rely on non-scalable over-complete independent component analysis (OICA). In this work, we propose the Transformed Independent Noise (TIN) condition, which checks for independence between a specific linear transformation of some measured variables and certain other measured variables. By leveraging the non-Gaussianity and higher-order statistics of data, TIN is informative about the graph structure among the unobserved target variables. By utilizing TIN, the ordered group decomposition of the causal model is identifiable. In other words, we could achieve what once required OICA to achieve by only conducting independence tests. Experimental results on both synthetic and real-world data demonstrate the effectiveness and reliability of our method.

As a basic research problem for building effective recommender systems, post-click conversion rate (CVR) estimation has long been plagued by sample selection bias and data sparsity issues. To address the data sparsity issue, prevalent methods based on entire space multi-task model leverage the sequential pattern of user actions, i.e. exposure $\rightarrow$ click $\rightarrow$ conversion to construct auxiliary learning tasks. However, they still fall short of guaranteeing the unbiasedness of CVR estimates. This paper theoretically demonstrates two defects of these entire space multi-task models: (1) inherent estimation bias (IEB) for CVR estimation, where the CVR estimate is inherently higher than the ground truth; (2) potential independence priority (PIP) for CTCVR estimation, where the causality from click to conversion might be overlooked. This paper further proposes a principled method named entire space counterfactual multi-task model (ESCM$^2$), which employs a counterfactual risk minimizer to handle both IEB and PIP issues at once. To demonstrate the effectiveness of the proposed method, this paper explores its parameter tuning in practice, derives its analytic properties, and showcases its effectiveness in industrial CVR estimation, where ESCM$^2$ can effectively alleviate the intrinsic IEB and PIP issues and outperform baseline models.

We propose an analysis in fair learning that preserves the utility of the data while reducing prediction disparities under the criteria of group sufficiency. We focus on the scenario where the data contains multiple or even many subgroups, each with limited number of samples. As a result, we present a principled method for learning a fair predictor for all subgroups via formulating it as a bilevel objective. Specifically, the subgroup specific predictors are learned in the lower-level through a small amount of data and the fair predictor. In the upper-level, the fair predictor is updated to be close to all subgroup specific predictors. We further prove that such a bilevel objective can effectively control the group sufficiency and generalization error. We evaluate the proposed framework on real-world datasets. Empirical evidence suggests the consistently improved fair predictions, as well as the comparable accuracy to the baselines.

A natural goal in multiagent learning besides finding equilibria is to learn rationalizable behavior, where players learn to avoid iteratively dominated actions. However, even in the basic setting of multiplayer general-sum games, existing algorithms require a number of samples exponential in the number of players to learn rationalizable equilibria under bandit feedback. This paper develops the first line of efficient algorithms for learning rationalizable Coarse Correlated Equilibria (CCE) and Correlated Equilibria (CE) whose sample complexities are polynomial in all problem parameters including the number of players. To achieve this result, we also develop a new efficient algorithm for the simpler task of finding one rationalizable action profile (not necessarily an equilibrium), whose sample complexity substantially improves over the best existing results of Wu et al. (2021). Our algorithms incorporate several novel techniques to guarantee rationalizability and no (swap-)regret simultaneously, including a correlated exploration scheme and adaptive learning rates, which may be of independent interest. We complement our results with a sample complexity lower bound showing the sharpness of our guarantees.

Hypothesis testing and the usage of expert knowledge, or causal priors, has not been well explored in the context of generative models. We propose a novel set of generative architectures, Causal Gen and Causal Variational Gen, that can utilize nonparametric structural causal knowledge combined with a deep learning functional approximation. We show how, using a deliberate (non-random) split of training and testing data, these models can generalize better to similar, but out-of-distribution data points, than non-causal generative models and prediction models such as Variational autoencoders and Fully Connected Neural Networks. We explore using this generalization error as a proxy for causal model hypothesis testing. We further show how dropout can be used to learn functional relationships of structural models that are difficult to learn with traditional methods. We validate our methods on a synthetic pendulum dataset, as well as a trauma surgery ground level fall dataset.

Bagging is a commonly used ensemble technique in statistics and machine learning to improve the performance of prediction procedures. In this paper, we study the prediction risk of variants of bagged predictors in the proportional asymptotics regime, in which the ratio of the number of features to the number of observations converges to a constant. Specifically, we propose a general strategy to analyze prediction risk under squared error loss of bagged predictors using classical results on simple random sampling. Specializing the strategy, we derive the exact asymptotic risk of the bagged ridge and ridgeless predictors with an arbitrary number of bags under a well-specified linear model with arbitrary feature covariance matrices and signal vectors. Furthermore, we prescribe a generic cross-validation procedure to select the optimal subsample size for bagging and discuss its utility to mitigate the non-monotonic behavior of the limiting risk in the sample size (i.e., double or multiple descents). In demonstrating the proposed procedure for bagged ridge and ridgeless predictors, we thoroughly investigate oracle properties of the optimal subsample size, and provide an in-depth comparison between different bagging variants.

Bayesian variable selection methods are powerful techniques for fitting and inferring on sparse high-dimensional linear regression models. However, many are computationally intensive or require restrictive prior distributions on model parameters. Likelihood based penalization methods are more computationally friendly, but resource intensive refitting techniques are needed for inference. In this paper, we proposed an efficient and powerful Bayesian approach for sparse high-dimensional linear regression. Minimal prior assumptions on the parameters are required through the use of plug-in empirical Bayes estimates of hyperparameters. Efficient maximum a posteriori probability (MAP) estimation is completed through the use of a partitioned and extended expectation conditional maximization (ECM) algorithm. The result is a PaRtitiOned empirical Bayes Ecm (PROBE) algorithm applied to sparse high-dimensional linear regression. We propose methods to estimate credible and prediction intervals for predictions of future values. We compare the empirical properties of predictions and our predictive inference to comparable approaches with numerous simulation studies and an analysis of cancer cell lines drug response study. The proposed approach is implemented in the R package probe.

This paper integrates manifold learning techniques within a \emph{Gaussian process upper confidence bound} algorithm to optimize an objective function on a manifold. Our approach is motivated by applications where a full representation of the manifold is not available and querying the objective is expensive. We rely on a point cloud of manifold samples to define a graph Gaussian process surrogate model for the objective. Query points are sequentially chosen using the posterior distribution of the surrogate model given all previous queries. We establish regret bounds in terms of the number of queries and the size of the point cloud. Several numerical examples complement the theory and illustrate the performance of our method.

A confidence sequence (CS) is an anytime-valid sequential inference primitive which produces an adapted sequence of sets for a predictable parameter sequence with a time-uniform coverage guarantee. This work constructs a non-parametric non-asymptotic lower CS for the running average conditional expectation whose slack converges to zero given non-negative right heavy-tailed observations with bounded mean. Specifically, when the variance is finite the approach dominates the empirical Bernstein supermartingale of Howard et. al.; with infinite variance, can adapt to a known or unknown $(1 + \delta)$-th moment bound; and can be efficiently approximated using a sublinear number of sufficient statistics. In certain cases this lower CS can be converted into a closed-interval CS whose width converges to zero, e.g., any bounded realization, or post contextual-bandit inference with bounded rewards and unbounded importance weights. A reference implementation and example simulations demonstrate the technique.

In practice, multi-task learning (through learning features shared among tasks) is an essential property of deep neural networks (NNs). While infinite-width limits of NNs can provide good intuition for their generalization behavior, the well-known infinite-width limits of NNs in the literature (e.g., neural tangent kernels) assume specific settings in which wide ReLU-NNs behave like shallow Gaussian Processes with a fixed kernel. Consequently, in such settings, these NNs lose their ability to benefit from multi-task learning in the infinite-width limit. In contrast, we prove that optimizing wide ReLU neural networks with at least one hidden layer using L2-regularization on the parameters promotes multi-task learning due to representation-learning - also in the limiting regime where the network width tends to infinity. We present an exact quantitative characterization of this infinite width limit in an appropriate function space that neatly describes multi-task learning.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

When applying differential privacy to sensitive data, a common way of getting improved performance is to use external information such as other sensitive data, public data, or human priors. We propose to use the algorithms with predictions framework -- previously applied largely to improve time complexity or competitive ratios -- as a powerful way of designing and analyzing privacy-preserving methods that can take advantage of such external information to improve utility. For four important tasks -- quantile release, its extension to multiple quantiles, covariance estimation, and data release -- we construct prediction-dependent differentially private methods whose utility scales with natural measures of prediction quality. The analyses enjoy several advantages, including minimal assumptions about the data, natural ways of adding robustness to noisy predictions, and novel "meta" algorithms that can learn predictions from other (potentially sensitive) data. Overall, our results demonstrate how to enable differentially private algorithms to make use of and learn noisy predictions, which holds great promise for improving utility while preserving privacy across a variety of tasks.

We introduce a modified version of the excess risk, which can be used to obtain tighter, fast-rate PAC-Bayesian generalisation bounds. This modified excess risk leverages information about the relative hardness of data examples to reduce the variance of its empirical counterpart, tightening the bound. We combine this with a new bound for $[-1, 1]$-valued (and potentially non-independent) signed losses, which is more favourable when they empirically have low variance around $0$. The primary new technical tool is a novel result for sequences of interdependent random vectors which may be of independent interest. We empirically evaluate these new bounds on a number of real-world datasets.

Halloween special 👻 submitted by /u/Available_Tadpole829 [link] [comments]  ( 114 min )

Join the Modzy team next Thursday October 27 at 12:30PM EDT for a tech talk on Choosing the Right Infrastructure for Production ML! Finding the right combination of infrastructure to support production AI at-scale can be time consuming and costly. In addition to identifying what kind of hardware can best support your production needs, picking the right deployment paradigm can save you thousands in cloud compute costs. This tech talk will walk you through how you to identify the right combination infrastructure to support your team’s needs for running inferences in production, at-scale. If you can't join live, the recording will be posted in the archives channel. Join the Discord Server. submitted by /u/modzykirsten [link] [comments]  ( 115 min )

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I played Skyrim a lot, but I can't remember all that stuff. The truth is, in Skyrim I learned how to cheat, how to die as a woman. I learned how to pick locks. I learned how to escape a prison, I learned how to walk in my underwear. I learned how to spell "Daedric". I learned a lot. But I don't think I learned how to fix myself. When I close my eyes, I see dragons. I hear battle cries. I smell smoke. I hear archers, I smell crossbows. I hear a choir of Amjadics. I hear a roar and a scream, the sound of arms on armor. It's cool in here. I need to get out. Notes: I just said everything that should be said here. Maybe the prologue should be a side quest. submitted by /u/Amick010502 [link] [comments]  ( 115 min )

submitted by /u/Peaking_AI [link] [comments]  ( 115 min )

I tried using Nightcafe and I was fine with the whole daily credits stuff, but it doesn't seem to do any sexually-related pictures. I tried making a good picture out of this thing (picture below) and it gave me a bunch of random stuff (even though I set the noise to 20 percent). And it's not the first time that happends, I've literally NEVER seen that thing make ANYTHING hot. Almost like it can't. https://preview.redd.it/vaffory14zu91.jpg?width=680&format=pjpg&auto=webp&s=732551e1595d5717590699cfd5faff80caa35f10 Also, some combination of words are prohibited. Like, I wanted to make a male portrait younger, so I wrote "young boy", but it was blocked. Guess it was afraid I'm a pedophile. But even if I was, it's none of it's f*cking business. So basically I'm looking for an AI art generator that is: free, no trial or anything. doesn't censor hot stuff or "potential pedophiles". Are there any? Thanks in advance! submitted by /u/windowtwink [link] [comments]  ( 120 min )

Hi! I'm a philosphy student and i need to write a blogpost about whether or not there should be restrictions on scientific research. I decided to go with AI research, since it's a very relevant subject. I just need a somewhat controversial article about research that's done/being done on artificial intelligence. I've been looking online but I can't seem to find something fitting anywhere. Any help is welcome! ​ (English is not my first language, so if anything is unclear, let me know) submitted by /u/miemkwienn [link] [comments]  ( 117 min )

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Hello! Wonder if anyone has recommendations with AI that summarizes copy? Currently researching good AI tools that could summarize long textx/articles into concise, yet informative summaries (more like executive summaries). Have played around Jasper's text summarizer, however it only condense the article down to 1-2 sentences. This is not good enough if people want to get information in shorter time. Thank you in advance for the help! submitted by /u/sissiwang42 [link] [comments]  ( 127 min )

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Hey! Recently a friend and I started writing poetry on Medium using GPT-3 (we're also generating images for the poems using DALL-E 2). Our goal is to show people poetry through the lens of GPT-3. We want to demonstrate the creative power of AI in an unconventional field and showcase the unique insights GPT-3 has on philosphical topics. Please check us out and tell us what you think if this sounds interesting to you, we would really appreciate it! We're called Poetry by an AI (on Medium). submitted by /u/No_Transition_3704 [link] [comments]  ( 115 min )

Hi all! My team and I have checked the 5 most popular AI writing apps to see whether they can do their job as professionally as human copywriters. We’re so proud to share the results with you 😊 Copywriters are an essential part of any marketing team. However good your product is, no one will know about it without promotion. And promotion means copying, whether for Facebook ads or blog posts. So the need for copywriters lingers. Hell, if it didn’t, I would be out of a job 😅 However, at least, hiring a professional copywriter costs about $50k-$60k annually. This made us think: is there a cheaper way to produce copy? Enter, artificial intelligence (AI) copywriting software. The market is replete with options that can “create human-like copy instantly” — or so the app developers assure us. Is that really so? We decided to find out. submitted by /u/selzy_marketing [link] [comments]  ( 119 min )

A few weeks ago I was shown a demo of an AI art generator program that plugs into Adobe Photoshop. You can then draw in a super rough base and then the program extrapolate with that and a text description. But for the life of me I can’t remember what the program is called. All I can seem to remember is the name has something to do with an alpaca. (I know it sounds weird but I’m serious) Does anyone know the name of this program? I really want to get it but can’t find it. submitted by /u/Zummerz [link] [comments]  ( 115 min )

Check out this data-backed blog on trusting conversational commerce to achieve Holiday Sales goals: https://www.haptik.ai/blog/trust-conversational-commerce-achieve-holiday-sales-goals submitted by /u/Haptik-AI [link] [comments]  ( 115 min )

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Fillout is the first AI-powered form builder. Just describe your form and our AI will instantly generate a form for you to customize. We're live on Product hunt and would appreciate your support and feedback! https://www.producthunt.com/posts/fillout-com Check out the demo video on that post to see how the AI works and let me know if you have any questions - I'll be around :) submitted by /u/dominicwhyte42 [link] [comments]  ( 115 min )

Looks like AAAI has sent out an email saying reviews are up on CMT. Anybody else only have two reviews? I was expecting to have four, but they said in the email that 69% of papers have 4 or more and 96% have three or more. Guess I'm in the 4% with fewer than three! submitted by /u/CauseRevolutionary59 [link] [comments]  ( 125 min )

Question: Image classification network that can detect multiple classes in the same image I am trying to find a network that can detect multiple different classes in the same image, or even multiple objects of the same class in a single image. For instance instead of detecting of either a "hat" or an "umbrella" are in an image, one that can detect if both are in the image, or if there are 2 "hats". I'm trying to find one that doesn't use bounding box regression because where the images are isnt really important for my project. Sorry if this is a dumb question I am very new to this. submitted by /u/Political_Target [link] [comments]  ( 130 min )

Hi, I’m currently working on detecting cancer type along with test for cancer using CT images . Problem I’m facing is huge dataset (nearly 1.5 lakhs of image sets) and I need to train my model . Would you advise me to manually classify myself for few samples and supervise the model or is there any unsupervised learning model I can refer , to train such a huge dataset ? submitted by /u/Zeitreisender2050 [link] [comments]  ( 126 min )

My ML team is looking to buy/source a dataset of videos of people performing certain niche tasks to train a business-critical model. From our research, it seems like Scale AI, Toloka, Appen, Defined AI, and Clickworker offer solutions in that space. Has anyone used any of these before and would recommend (or recommend avoiding) them? Are we better off just running the crowdsourcing of the data in-house? submitted by /u/quantifiedvagabond [link] [comments]  ( 128 min )

Hi everyone I am an an architecture student and I’m doing my master project on computational architecture. The abstract of what I’m trying to achieve is a live transformable space in a 3D program (Unity 3D) that changes based on a EEG device data (change based on your feeling or what you think etc). Thought my knowledge on computation is limited, and I’m looking for already made algorithms (maybe ready neural networks to train) to put together for the project, rather that reinventing the wheel. I’m pretty early on in my research and I wanted to ask you for what fields should I look into and in general anything that you think might be helpful. ​ This video sparked the hole idea. I was interested in moving his project into 3D space. I’m not sure how AI applies here, to me it seems like just a visualisation of the data from the EEG device. How do you think it is made? https://www.youtube.com/watch?v=Y865Nxa5sW4 ​ In this simpler version it is shown that the data from the devise feeds in a flocking algorithm (which I’ve seems easily created in Unity before). https://www.youtube.com/watch?v=wkL_LihsRVw&list=LL&index=3 ​ ​ ​ Thanks in advance everyone! submitted by /u/Chris1Snea [link] [comments]  ( 128 min )

I’m reading up on diffusion models, and these seem to be two dominant approaches. They are also equivalent in some parameterization of the formulations. However, the more recent papers, for example stable diffusion, seem to use DDPM-type formulation more often, and by this I mean they learn the noise rather than the score. Is this observation true? And if it is, what are some reasons? I’ve never implemented a model like this myself, so I don’t know how difficult or practical they are. Perhaps all the issues listed in the score matching papers (manifold hypothesis, low data density regions, inaccurate score estimation) make it really difficult to work with, or is there something more fundamental? Thanks in advance! submitted by /u/WallabyDue2778 [link] [comments]  ( 131 min )

I need to apply deep neural networks to a scenario where the network input is a noisy discrete value, and I have an estimate of its distribution. For example, the network takes the number of people currently in a building as input. I have a probability distribution over the possible values instead of having the exact number of people. I'm interested in any work that enables neural networks to read a distribution as input (might be continuous or discrete, uni-modal or multi-modal) and process it efficiently submitted by /u/fedetask [link] [comments]  ( 130 min )

Just introduce the new python package for easily using mini-imagenet and tiny-imagenet: MLclf. Training the full imagenet dataset (1k classes) needs a high computational resource, it is usually hard to quickly check your model on your local or personal computer. The mini-imagenet (100 classes) and tiny-imagenet (200 classes) are way more friendly on a local or personal computer, but the format of them are not friendly for the classical or traditional classification task, e.g. the original raw mini-imagenet data is divided into training/validation/testing sets for the few-shot or meta learning task. You can easily use the python package MLclf to download and transform the mini-imagenet data and tiny-imagenet for the traditional image classification task or the meta-learning task. just use: pip install MLclf Training the full imagenet dataset (1k classes) needs a high computational resource, it is usually hard to quickly check your model on your local or personal computer. The mini-imagenet (100 classes) and tiny-imagenet (200 classes) are way more friendly on a local or personal computer, but the format of them are not friendly for the classical or traditional classification task, e.g. the original raw mini-imagenet data is divided into training/validation/testing sets for the few-shot or meta learning task. from MLclf import MLclf MLclf.miniimagenet_download(Download=True) MLclf.tinyimagenet_download(Download=True) You can also see for more details: https://github.com/tiger2017/MLclf submitted by /u/supercxman [link] [comments]  ( 127 min )

I happy to share our latest repository for making the TensorFlow C++ API more accessible! We now provide a pre-built library and a Docker image for easy installation and usage of the TensorFlow C++ API at https://github.com/ika-rwth-aachen/libtensorflow_cc. In order to, e.g., run TensorFlow models from C++ source code, one usually needs to build the C++ API in the form of the libtensorflow_cc.so library from source. There is no official release of the library and the build from source is only sparsely documented. We try to remedy this current situation by providing two main components: We provide the pre-built libtensorflow_cc.so including accompanying headers as a one-command-install deb-package. We provide a pre-built Docker image based on the official TensorFlow Docker image. Our Docker image has both TensorFlow Python and TensorFlow C++ installed. Try it out yourself by running the example application: git clone https://github.com/ika-rwth-aachen/libtensorflow_cc.git && \ cd libtensorflow_cc && \ docker run --rm \ --volume $(pwd)/example:/example \ --workdir /example \ rwthika/tensorflow-cc:latest \ ./build-and-run.sh While we currently only support x86_64 machines running Ubuntu, this could easily be extended to other OS and platforms in the future. Except for a some exceptions, all TensorFlow versions from 2.0.0 through 2.9.2 are available, 2.10.0 coming soon. If you want to use the TensorFlow C++ API to load, inspect, and run saved models and frozen graphs in C++, we suggest that you also check out our helper library tensorflow_cpp. Looking forward to hearing some feedback from you, thanks! Lennart submitted by /u/lennart-reiher-ika [link] [comments]  ( 129 min )

Hey all! My name is Louis Castricato. I lead CarperAI, a large FOSS group that recently released a library for doing distributed RLHF. We just announced a project today during Scale's TransformX conference to reimplement Instruct GPT, make all the datasets available as MIT, and release our checkpoints/models. I'm super interested in the democratization of large scale RLHF, as I feel it's a relatively unexplored space in the open source community. To that end, we'd love to get the subreddit and community more involved in our task selection process for our instruct model. We'll be hosting a panel on this in a few weeks, so I'm curious r/machinelearning, what kinds of tasks would you love to see an instruct model tuned on if you had infinite resources? Here is our instruct announcement: https://carper.ai/instruct-gpt-announcement/ And a link to our discussion panel on the CarperAI discord: https://discord.gg/cCR3xEAt?event=1029746950305751141 Excited to hear your thoughts! submitted by /u/FerretDude [link] [comments]  ( 126 min )

Notebook/ tutorial implementing the iclr outstanding paper recipient paper : https://www.kaggle.com/code/infocusp/diffstride-explainable-notebook submitted by /u/optimistdit [link] [comments]  ( 126 min )

I'll keep it simple, suppose you have images taken from a camera A, and other images which have been taken from other different cameras (B,C,D and so on). Can you train a model such that when you input an image from B,C,D... cameras it "changes" it into an image such that it would seem that it's taken from camera A. Any kind of approaches are fine, this question is just out of curiosity. Let's discuss in the comments ! submitted by /u/baby_yoda_fangay [link] [comments]  ( 127 min )

Hi Everyone, I'd like to train a language representation model (say BERT or derivatives) on half a billion text documents. Each document is not particularly long (one-two pages) but the data cannot be moved to the cloud. I've never developed any models at this scale and was wondering if you could recommend an appropriate hardware setup for this project - perhaps going from "absolute dream configuration" to "expensive but more realistic". Much appreciated. submitted by /u/medcode [link] [comments]  ( 128 min )

I am working a biomedical imaging project where a group of doctors annotated short time lapses where a given event of interest occurred in a video. I would like to measure the Inter rater reliability, and the first think that comes into my mind is to use the Cohen’s kappa converting the time-lapse annotations into frame-wise annotations. However, given that this is a detections task, the problem in highly unbalanced and therefore the Cohen’s score will be biased. What options do we have ? submitted by /u/ManuelRios18 [link] [comments]  ( 127 min )

Hi, First time to NeurIPS with a poster, and I noticed we need to submit 5-minute videos presenting our research. I was just wondering if anyone has done this before. I assume this is a 5-minute presentation with a few slides, but I've seen a few people show their poster instead and discuss it. I wanted to check if anyone had links to good examples of these 5-minute poster presentation videos. Or any tips/advice. Thanks! submitted by /u/VirtualHat [link] [comments]  ( 125 min )

Hi everyone. We recently launched our call for the scholars program, a 8 month full-time entry point into machine learning research to pursue curiosity driven research w access to large scale engineering resources and mentorship. We have intentionally structured the program to be paid and remote-first so we can support talent all across the world. Our deadline is coming up on November 7th, and as of now, our pool of candidates is still indexing heavily on the US and Canada. In addition to the impressive candidates in these countries, I would welcome any help sharing this opportunity with ML communities around the world. More details below for anyone interested: The Cohere For AI Scholars Program supports the next generation of rising stars as they embark on their research journey by providing an alternative point of entry into NLP research. Scholars will have access to a large-scale experimental framework and work alongside some of the best researchers and engineering expertise in the world. Participation is full-time, remote-first and paid.For more details, check out our blog post announcing the Scholars Program launch. Applications are open until November 7, 2022, and can be found here. submitted by /u/ml_magic_ [link] [comments]  ( 138 min )

Posted by Wenhao Yu, Research Scientist, Robotics at Google, and Kuang-Huei Lee, Research Engineer, Google Research, Brain team Evolution strategy (ES) is a family of optimization techniques inspired by the ideas of natural selection: a population of candidate solutions are usually evolved over generations to better adapt to an optimization objective. ES has been applied to a variety of challenging decision making problems, such as legged locomotion, quadcopter control, and even power system control. Compared to gradient-based reinforcement learning (RL) methods like proximal policy optimization (PPO) and soft actor-critic (SAC), ES has several advantages. First, ES directly explores in the space of controller parameters, while gradient-based methods often explore within a limited actio…  ( 25 min )

Posted by Junjie Ke, Senior Software Engineer, and Feng Yang, Senior Staff Software Engineer, Google Research Understanding the aesthetic and technical quality of images is important for providing a better user visual experience. Image quality assessment (IQA) uses models to build a bridge between an image and a user's subjective perception of its quality. In the deep learning era, many IQA approaches, such as NIMA, have achieved success by leveraging the power of convolutional neural networks (CNNs). However, CNN-based IQA models are often constrained by the fixed-size input requirement in batch training, i.e., the input images need to be resized or cropped to a fixed size shape. This preprocessing is problematic for IQA because images can have very different aspect ratios and resolutions…  ( 26 min )

Collecting and annotating image data is one of the most resource-intensive tasks on any computer vision project. It can take months at a time to fully collect, analyze, and experiment with image streams at the level you need in order to compete in the current marketplace. Even after you’ve successfully collected data, you still have […]  ( 22 min )

Amazon SageMaker and SageMaker inference endpoints provide a capability of training and deploying your AI and machine learning (ML) workloads. With inference endpoints, you can deploy your models for real-time or batch inference. The endpoints support various types of ML models hosted using AWS Deep Learning Containers or your own containers with custom AI/ML algorithms. […]  ( 9 min )

Paper: https://arxiv.org/abs/2210.05805 Code: https://github.com/facebookresearch/e3b Website: https://e3bagent.github.io/ Abstract: In recent years, a number of reinforcement learning (RL) methods have been proposed to explore complex environments which differ across episodes. In this work, we show that the effectiveness of these methods critically relies on a count-based episodic term in their exploration bonus. As a result, despite their success in relatively simple, noise-free settings, these methods fall short in more realistic scenarios where the state space is vast and prone to noise. To address this limitation, we introduce Exploration via Elliptical Episodic Bonuses (E3B), a new method which extends count-based episodic bonuses to continuous state spaces and encourages an agent to explore states that are diverse under a learned embedding within each episode. The embedding is learned using an inverse dynamics model in order to capture controllable aspects of the environment. Our method sets a new state-of-the-art across 16 challenging tasks from the MiniHack suite, without requiring task-specific inductive biases. E3B also matches existing methods on sparse reward, pixel-based VizDoom environments, and outperforms existing methods in reward-free exploration on Habitat, demonstrating that it can scale to high-dimensional pixel-based observations and realistic environments. ​ ​ submitted by /u/viv1a [link] [comments]  ( 117 min )

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I want to solve breakout using REINFORCE as my policy gradient algorithm and just need a little clarity. State and feature vector representation: For the value network: I'm planning to go with the same deepmind representation (84x84x4) as the network input and 1 output node for the state value For the policy network: I was planning (84x84x4) as the input and softmax output of size (n_actions) I'm not able to understand how to call the update step using any framework (tf/torch), what should my loss function be and with what terms should it be called? How do I accommodate the delta term in my networks? How do I add the "ln" term in the policy network? Do I do something life tf.log(action_preference) on my action outputs then compute gradients? https://preview.redd.it/bcnykxx27zu91.png?width=1207&format=png&auto=webp&s=ed1199ddd92bf0f36c8b1e83d021185be1645b99 submitted by /u/anuraagshankar [link] [comments]  ( 118 min )

I am currently working on a custom reinforcement environment using the Gym library. When trying to train an agent using Deep Reinforcement Learning with keras-rl2, I was getting strange errors. After googling for a few days to find the cause, I found a statement that keras-rl2 is deprecated and should no longer be used. After further research, I found a post that said that for reinforcement learning, pytorch is mainly used nowadays and not keras for the neural network part. Now I am very confused what are today's state of the art tools used in reinforcement learning. Thanks a lot for your advice! Moreover, I would be very grateful to get some links to tutorials or YouTube videos on their usage. submitted by /u/un_defined2020 [link] [comments]  ( 112 min )

I've only taken an intro to psychology course and know little about AI/ML. What I know is that rewards and punishments are used in reinforcing behavior which I assume is replicated in ML reinforcement learning models. submitted by /u/Ok-Joke-4110 [link] [comments]  ( 118 min )

This week vincentfunart and retromanni discuss how they collaborate to create some amazing art  ( 6 min )

Introduction Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 10 min )

Step-by-step walkthrough on lip-syncing with Wav2Lip  ( 10 min )

A new method uses optics to accelerate machine-learning computations on smart speakers and other low-power connected devices.  ( 8 min )

I wrote last week that the eccentricities of planet orbits in our solar system do not effect the shape of the orbit very much. Here’s a plot of all the orbits, shifted to have the same center and scaled to have the same minor axis. However, the planet orbits do not have a common center. […] How eccentricity matters first appeared on John D. Cook.  ( 5 min )

The most common way to define an ellipse geometrically is as the set of points whose distances to two foci sum to a constant. There is another way, however, to define an ellipse that generalizes to include the two other conic sections, parabolas and hyperbolas. You can define a conic section as the set of […] Directrix of a conic first appeared on John D. Cook.  ( 5 min )

Ellipses have been studied for over two thousand years, and so some of the terminology is ancient and sounds odd to modern ears. One such term is latus rectum. What is the latus rectum and does have it anything to do with anatomy? This post defines the latus rectum for an ellipse. See the next […] Latus rectum of an ellipse first appeared on John D. Cook.  ( 5 min )

The Gini coefficient, a.k.a. Gini index, of a set of numbers is the average of all differences divided by twice the mean. Specifically, let Then the Gini coefficient of x is defined to be where μ is the mean of the set. The Gini coefficient is often used in economics to measure inequalities in wealth. […] Inequalities for inequality: Gini coefficient lower bounds first appeared on John D. Cook.  ( 5 min )

GeForce NOW expands touch control support to 13 more games this GFN Thursday. That means it’s easier than ever to take PC gaming on the go using mobile devices and tablets. The new “Mobile Touch Controls” row in the GeForce NOW app is the easiest way for members to find which games put the action Read article > The post Get in Touch With New Mobile Gaming Controls on GeForce NOW appeared first on NVIDIA Blog.  ( 6 min )

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. The combination of these properties has led to many advances in semi-supervised learning, generative modeling, and control of dynamical systems. However, learning smooth functions is generally challenging, except in simple cases such as learning linear or kernel models. Typical methods are either too conservative, relying on crude upper bounds such as spectral normalization, too lax, penalizing smoothness on average, or too computationally intensive, requiring the solution of large-scale semi-definite programs. These issues are only exacerbated when trying to simultaneously exploit low dimensionality using, e.g., manifolds. This work proposes to overcome these obstacles by combining techniques from semi-infinite constrained learning and manifold regularization. To do so, it shows that, under typical conditions, the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. We prove that, under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Numerical examples illustrate the advantages of using this method to impose global smoothness on manifolds as opposed to imposing smoothness on average.  ( 3 min )

Probabilistic, hierarchically coherent forecasting is a key problem in many practical forecasting applications -- the goal is to obtain coherent probabilistic predictions for a large number of time series arranged in a pre-specified tree hierarchy. In this paper, we present a probabilistic top-down approach to hierarchical forecasting that uses a novel attention-based RNN model to learn the distribution of the proportions according to which each parent prediction is split among its children nodes at any point in time. These probabilistic proportions are then coupled with an independent univariate probabilistic forecasting model for the root time series. The resulting forecasts are naturally coherent, and provide probabilistic predictions over all time series in the hierarchy. We experiment on several public datasets and demonstrate significant improvements up to 27% on most datasets compared to state-of-the-art probabilistic hierarchical models. Finally, we also provide theoretical justification for the superiority of our top-down approach compared to traditional bottom-up modeling.

Due to the widespread use of complex machine learning models in real-world applications, it is becoming critical to explain model predictions. However, these models are typically black-box deep neural networks, explained post-hoc via methods with known faithfulness limitations. Generalized Additive Models (GAMs) are an inherently interpretable class of models that address this limitation by learning a non-linear shape function for each feature separately, followed by a linear model on top. However, these models are typically difficult to train, require numerous parameters, and are difficult to scale. We propose an entirely new subfamily of GAMs that utilizes basis decomposition of shape functions. A small number of basis functions are shared among all features, and are learned jointly for a given task, thus making our model scale much better to large-scale data with high-dimensional features, especially when features are sparse. We propose an architecture denoted as the Neural Basis Model (NBM) which uses a single neural network to learn these bases. On a variety of tabular and image datasets, we demonstrate that for interpretable machine learning, NBMs are the state-of-the-art in accuracy, model size, and, throughput and can easily model all higher-order feature interactions. Source code is available at https://github.com/facebookresearch/nbm-spam.

The question of answering queries over ML predictions has been gaining attention in the database community. This question is challenging because the cost of finding high quality answers corresponds to invoking an oracle such as a human expert or an expensive deep neural network model on every single item in the DB and then applying the query. We develop a novel unified framework for approximate query answering by leveraging a proxy to minimize the oracle usage of finding high quality answers for both Precision-Target (PT) and Recall-Target (RT) queries. Our framework uses a judicious combination of invoking the expensive oracle on data samples and applying the cheap proxy on the objects in the DB. It relies on two assumptions. Under the Proxy Quality assumption, proxy quality can be quantified in a probabilistic manner w.r.t. the oracle. This allows us to develop two algorithms: PQA that efficiently finds high quality answers with high probability and no oracle calls, and PQE, a heuristic extension that achieves empirically good performance with a small number of oracle calls. Alternatively, under the Core Set Closure assumption, we develop two algorithms: CSC that efficiently returns high quality answers with high probability and minimal oracle usage, and CSE, which extends it to more general settings. Our extensive experiments on five real-world datasets on both query types, PT and RT, demonstrate that our algorithms outperform the state-of-the-art and achieve high result quality with provable statistical guarantees.

Cujo AI and Adversa AI hosted the MLSec face recognition challenge. The goal was to attack a black box face recognition model with targeted attacks. The model returned the confidence of the target class and a stealthiness score. For an attack to be considered successful the target class has to have the highest confidence among all classes and the stealthiness has to be at least 0.5. In our approach we paste the face of a target into a source image. By utilizing position, scaling, rotation and transparency attributes we reached 3rd place. Our approach took approximately 200 queries per attack for the final highest score and about ~7.7 queries minimum for a successful attack. The code is available at https://github.com/bunni90/FacePastingAttack .

Specifying rewards for reinforcement learned (RL) agents is challenging. Preference-based RL (PbRL) mitigates these challenges by inferring a reward from feedback over sets of trajectories. However, the effectiveness of PbRL is limited by the amount of feedback needed to reliably recover the structure of the target reward. We present the PRIor Over Rewards (PRIOR) framework, which incorporates priors about the structure of the reward function and the preference feedback into the reward learning process. Imposing these priors as soft constraints on the reward learning objective reduces the amount of feedback required by half and improves overall reward recovery. Additionally, we demonstrate that using an abstract state space for the computation of the priors further improves the reward learning and the agent's performance.

Variance reduction techniques such as SPIDER/SARAH/STORM have been extensively studied to improve the convergence rates of stochastic non-convex optimization, which usually maintain and update a sequence of estimators for a single function across iterations. What if we need to track multiple functional mappings across iterations but only with access to stochastic samples of $\mathcal{O}(1)$ functional mappings at each iteration? There is an important application in solving an emerging family of coupled compositional optimization problems in the form of $\sum_{i=1}^m f_i(g_i(\mathbf{w}))$, where $g_i$ is accessible through a stochastic oracle. The key issue is to track and estimate a sequence of $\mathbf g(\mathbf{w})=(g_1(\mathbf{w}), \ldots, g_m(\mathbf{w}))$ across iterations, where $\mathbf g(\mathbf{w})$ has $m$ blocks and it is only allowed to probe $\mathcal{O}(1)$ blocks to attain their stochastic values and Jacobians. To improve the complexity for solving these problems, we propose a novel stochastic method named Multi-block-Single-probe Variance Reduced (MSVR) estimator to track the sequence of $\mathbf g(\mathbf{w})$. It is inspired by STORM but introduces a customized error correction term to alleviate the noise not only in stochastic samples for the selected blocks but also in those blocks that are not sampled. With the help of the MSVR estimator, we develop several algorithms for solving the aforementioned compositional problems with improved complexities across a spectrum of settings with non-convex/convex/strongly convex/Polyak-{\L}ojasiewicz (PL) objectives. Our results improve upon prior ones in several aspects, including the order of sample complexities and dependence on the strong convexity parameter. Empirical studies on multi-task deep AUC maximization demonstrate the better performance of using the new estimator.

Approximate Nearest Neighbor Search (ANNS) in high dimensional spaces is crucial for many real-life applications (e.g., e-commerce, web, multimedia, etc.) dealing with an abundance of data. This paper proposes an end-to-end learning framework that couples the partitioning (one critical step of ANNS) and learning-to-search steps using a custom loss function. A key advantage of our proposed solution is that it does not require any expensive pre-processing of the dataset, which is one of the critical limitations of the state-of-the-art approach. We achieve the above edge by formulating a multi-objective custom loss function that does not need ground truth labels to quantify the quality of a given data-space partition, making it entirely unsupervised. We also propose an ensembling technique by adding varying input weights to the loss function to train an ensemble of models to enhance the search quality. On several standard benchmarks for ANNS, we show that our method beats the state-of-the-art space partitioning method and the ubiquitous K-means clustering method while using fewer parameters and shorter offline training times. We also show that incorporating our space-partitioning strategy into state-of-the-art ANNS techniques such as ScaNN can improve their performance significantly. Finally, we present our unsupervised partitioning approach as a promising alternative to many widely used clustering methods, such as K-means clustering and DBSCAN.

A big convergence of model architectures across language, vision, speech, and multimodal is emerging. However, under the same name "Transformers", the above areas use different implementations for better performance, e.g., Post-LayerNorm for BERT, and Pre-LayerNorm for GPT and vision Transformers. We call for the development of Foundation Transformer for true general-purpose modeling, which serves as a go-to architecture for various tasks and modalities with guaranteed training stability. In this work, we introduce a Transformer variant, named Magneto, to fulfill the goal. Specifically, we propose Sub-LayerNorm for good expressivity, and the initialization strategy theoretically derived from DeepNet for stable scaling up. Extensive experiments demonstrate its superior performance and better stability than the de facto Transformer variants designed for various applications, including language modeling (i.e., BERT, and GPT), machine translation, vision pretraining (i.e., BEiT), speech recognition, and multimodal pretraining (i.e., BEiT-3).

Substantial work indicates that the dynamics of neural networks (NNs) is closely related to their initialization of parameters. Inspired by the phase diagram for two-layer ReLU NNs with infinite width (Luo et al., 2021), we make a step towards drawing a phase diagram for three-layer ReLU NNs with infinite width. First, we derive a normalized gradient flow for three-layer ReLU NNs and obtain two key independent quantities to distinguish different dynamical regimes for common initialization methods. With carefully designed experiments and a large computation cost, for both synthetic datasets and real datasets, we find that the dynamics of each layer also could be divided into a linear regime and a condensed regime, separated by a critical regime. The criteria is the relative change of input weights (the input weight of a hidden neuron consists of the weight from its input layer to the hidden neuron and its bias term) as the width approaches infinity during the training, which tends to $0$, $+\infty$ and $O(1)$, respectively. In addition, we also demonstrate that different layers can lie in different dynamical regimes in a training process within a deep NN. In the condensed regime, we also observe the condensation of weights in isolated orientations with low complexity. Through experiments under three-layer condition, our phase diagram suggests a complicated dynamical regimes consisting of three possible regimes, together with their mixture, for deep NNs and provides a guidance for studying deep NNs in different initialization regimes, which reveals the possibility of completely different dynamics emerging within a deep NN for its different layers.

Object Rearrangement is to move objects from an initial state to a goal state. Here, we focus on a more practical setting in object rearrangement, i.e., rearranging objects from shuffled layouts to a normative target distribution without explicit goal specification. However, it remains challenging for AI agents, as it is hard to describe the target distribution (goal specification) for reward engineering or collect expert trajectories as demonstrations. Hence, it is infeasible to directly employ reinforcement learning or imitation learning algorithms to address the task. This paper aims to search for a policy only with a set of examples from a target distribution instead of a handcrafted reward function. We employ the score-matching objective to train a Target Gradient Field (TarGF), indicating a direction on each object to increase the likelihood of the target distribution. For object rearrangement, the TarGF can be used in two ways: 1) For model-based planning, we can cast the target gradient into a reference control and output actions with a distributed path planner; 2) For model-free reinforcement learning, the TarGF is not only used for estimating the likelihood-change as a reward but also provides suggested actions in residual policy learning. Experimental results in ball and room rearrangement demonstrate that our method significantly outperforms the state-of-the-art methods in the quality of the terminal state, the efficiency of the control process, and scalability.

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models and fast inference simultaneously is challenging due to the gap between developing efficient accelerators and the rapid creation of new GNN models. Prior art focuses on accelerating specific classes of GNNs, such as Graph Convolutional Networks (GCN), but lacks generality to support a wide range of existing or new GNN models. Furthermore, most works rely on graph pre-processing to exploit data locality, making them unsuitable for real-time applications. To address these limitations, in this work, we propose a generic dataflow architecture for GNN acceleration, named FlowGNN, which is generalizable to the majority of message-passing GNNs. The contributions are three-fold. First, we propose a novel and scalable dataflow architecture, which generally supports a wide range of GNN models with message-passing mechanism. The architecture features a configurable dataflow optimized for simultaneous computation of node embedding, edge embedding, and message passing, which is generally applicable to all models. We also propose a rich library of model-specific components. Second, we deliver ultra-fast real-time GNN inference without any graph pre-processing, making it agnostic to dynamically changing graph structures. Third, we verify our architecture on the Xilinx Alveo U50 FPGA board and measure the on-board end-to-end performance. We achieve a speed-up of up to 24-254x against CPU (6226R) and 1.3-477x against GPU (A6000) (with batch sizes 1 through 1024); we also outperform the SOTA GNN accelerator I-GCN by 1.26x speedup and 1.55x energy efficiency over four datasets. Our implementation code and on-board measurement are publicly available on GitHub.

In this work, we provide a fundamental unified convergence theorem used for deriving expected and almost sure convergence results for a series of stochastic optimization methods. Our unified theorem only requires to verify several representative conditions and is not tailored to any specific algorithm. As a direct application, we recover expected and almost sure convergence results of the stochastic gradient method (SGD) and random reshuffling (RR) under more general settings. Moreover, we establish new expected and almost sure convergence results for the stochastic proximal gradient method (prox-SGD) and stochastic model-based methods (SMM) for nonsmooth nonconvex optimization problems. These applications reveal that our unified theorem provides a plugin-type convergence analysis and strong convergence guarantees for a wide class of stochastic optimization methods.

Backdoor learning is an emerging and vital topic for studying deep neural networks' vulnerability (DNNs). Many pioneering backdoor attack and defense methods are being proposed, successively or concurrently, in the status of a rapid arms race. However, we find that the evaluations of new methods are often unthorough to verify their claims and accurate performance, mainly due to the rapid development, diverse settings, and the difficulties of implementation and reproducibility. Without thorough evaluations and comparisons, it is not easy to track the current progress and design the future development roadmap of the literature. To alleviate this dilemma, we build a comprehensive benchmark of backdoor learning called BackdoorBench. It consists of an extensible modular-based codebase (currently including implementations of 8 state-of-the-art (SOTA) attacks and 9 SOTA defense algorithms) and a standardized protocol of complete backdoor learning. We also provide comprehensive evaluations of every pair of 8 attacks against 9 defenses, with 5 poisoning ratios, based on 5 models and 4 datasets, thus 8,000 pairs of evaluations in total. We present abundant analysis from different perspectives about these 8,000 evaluations, studying the effects of different factors in backdoor learning. All codes and evaluations of BackdoorBench are publicly available at \url{https://backdoorbench.github.io}.

Graph Machine Learning (GraphML), whereby classical machine learning is generalized to irregular graph domains, has enjoyed a recent renaissance, leading to a dizzying array of models and their applications in several domains. With its growing applicability to sensitive domains and regulations by governmental agencies for trustworthy AI systems, researchers have started looking into the issues of transparency and privacy of graph learning. However, these topics have been mainly investigated independently. In this position paper, we provide a unified perspective on the interplay of privacy and transparency in GraphML. In particular, we describe the challenges and possible research directions for a formal investigation of privacy-transparency tradeoffs in GraphML.

Outlier detection (OD) literature exhibits numerous algorithms as it applies to diverse domains. However, given a new detection task, it is unclear how to choose an algorithm to use, nor how to set its hyperparameter(s) (HPs) in unsupervised settings. HP tuning is an ever-growing problem with the arrival of many new detectors based on deep learning, which usually come with a long list of HPs. Surprisingly, the issue of model selection in the outlier mining literature has been "the elephant in the room"; a significant factor in unlocking the utmost potential of deep methods, yet little said or done to systematically tackle the issue. In the first part of this paper, we conduct the first large-scale analysis on the HP sensitivity of deep OD methods, and through more than 35,000 trained models, quantitatively demonstrate that model selection is inevitable. Next, we design a HP-robust and scalable deep hyper-ensemble model called ROBOD that assembles models with varying HP configurations, bypassing the choice paralysis. Importantly, we introduce novel strategies to speed up ensemble training, such as parameter sharing, batch/simultaneous training, and data subsampling, that allow us to train fewer models with fewer parameters. Extensive experiments on both image and tabular datasets show that ROBOD achieves and retains robust, state-of-the-art detection performance as compared to its modern counterparts, while taking only $2$-$10$\% of the time by the naive hyper-ensemble with independent training.

Personalized chatbots focus on endowing the chatbots with a consistent personality to behave like real users and further act as personal assistants. Previous studies have explored generating implicit user profiles from the user's dialogue history for building personalized chatbots. However, these studies only use the response generation loss to train the entire model, thus it is prone to suffer from the problem of data sparsity. Besides, they overemphasize the final generated response's quality while ignoring the correlations and fusions between the user's dialogue history, leading to rough data representations and performance degradation. To tackle these problems, we propose a self-supervised learning framework MCP for capturing better representations from users' dialogue history for personalized chatbots. Specifically, we apply contrastive sampling methods to leverage the supervised signals hidden in user dialog history, and generate the pre-training samples for enhancing the model. We design three pre-training tasks based on three types of contrastive pairs from user dialogue history, namely response pairs, sequence augmentation pairs, and user pairs. We pre-train the utterance encoder and the history encoder towards the contrastive objectives and use these pre-trained encoders for generating user profiles while personalized response generation. Experimental results on two real-world datasets show a significant improvement in our proposed model MCP compared with the existing methods.

We study differentially private (DP) algorithms for smooth stochastic minimax optimization, with stochastic minimization as a byproduct. The holy grail of these settings is to guarantee the optimal trade-off between the privacy and the excess population loss, using an algorithm with a linear time-complexity in the number of training samples. We provide a general framework for solving differentially private stochastic minimax optimization (DP-SMO) problems, which enables the practitioners to bring their own base optimization algorithm and use it as a black-box to obtain the near-optimal privacy-loss trade-off. Our framework is inspired from the recently proposed Phased-ERM method [22] for nonsmooth differentially private stochastic convex optimization (DP-SCO), which exploits the stability of the empirical risk minimization (ERM) for the privacy guarantee. The flexibility of our approach enables us to sidestep the requirement that the base algorithm needs to have bounded sensitivity, and allows the use of sophisticated variance-reduced accelerated methods to achieve near-linear time-complexity. To the best of our knowledge, these are the first near-linear time algorithms with near-optimal guarantees on the population duality gap for smooth DP-SMO, when the objective is (strongly-)convex--(strongly-)concave. Additionally, based on our flexible framework, we enrich the family of near-linear time algorithms for smooth DP-SCO with the near-optimal privacy-loss trade-off.

Knowledge tracing and dropout prediction are crucial for online education to estimate students' knowledge states or to prevent dropout rates. While traditional systems interacting with students suffered from data sparsity and overfitting, recent sample-level contrastive learning helps to alleviate this issue. One major limitation of sample-level approaches is that they regard students' behavior interaction sequences as a bundle, so they often fail to encode temporal contexts and track their dynamic changes, making it hard to find optimal representations for knowledge tracing and dropout prediction. To apply temporal context within the sequence, this study introduces a novel student modeling framework, SAICL: \textbf{s}tudent modeling with \textbf{a}uxiliary \textbf{i}nteraction-level \textbf{c}ontrastive \textbf{l}earning. In detail, SAICL can utilize both proposed self-supervised/supervised interaction-level contrastive objectives: MilCPC (\textbf{M}ulti-\textbf{I}nteraction-\textbf{L}evel \textbf{C}ontrastive \textbf{P}redictive \textbf{C}oding) and SupCPC (\textbf{Sup}ervised \textbf{C}ontrastive \textbf{P}redictive \textbf{C}oding). While previous sample-level contrastive methods for student modeling are highly dependent on data augmentation methods, the SAICL is free of data augmentation while showing better performance in both self-supervised and supervised settings. By combining cross-entropy with contrastive objectives, the proposed SAICL achieved comparable knowledge tracing and dropout prediction performance with other state-of-art models without compromising inference costs.

The state space in Multiagent Reinforcement Learning (MARL) grows exponentially with the agent number. Such a curse of dimensionality results in poor scalability and low sample efficiency, inhibiting MARL for decades. To break this curse, we propose a unified agent permutation framework that exploits the permutation invariance (PI) and permutation equivariance (PE) inductive biases to reduce the multiagent state space. Our insight is that permuting the order of entities in the factored multiagent state space does not change the information. Specifically, we propose two novel implementations: a Dynamic Permutation Network (DPN) and a Hyper Policy Network (HPN). The core idea is to build separate entity-wise PI input and PE output network modules to connect the entity-factored state space and action space in an end-to-end way. DPN achieves such connections by two separate module selection networks, which consistently assign the same input module to the same input entity (guarantee PI) and assign the same output module to the same entity-related output (guarantee PE). To enhance the representation capability, HPN replaces the module selection networks of DPN with hypernetworks to directly generate the corresponding module weights. Extensive experiments in SMAC, Google Research Football and MPE validate that the proposed methods significantly boost the performance and the learning efficiency of existing MARL algorithms. Remarkably, in SMAC, we achieve 100% win rates in almost all hard and super-hard scenarios (never achieved before).

Physical law learning is the ambiguous attempt at automating the derivation of governing equations with the use of machine learning techniques. The current literature focuses however solely on the development of methods to achieve this goal, and a theoretical foundation is at present missing. This paper shall thus serve as a first step to build a comprehensive theoretical framework for learning physical laws, aiming to provide reliability to according algorithms. One key problem consists in the fact that the governing equations might not be uniquely determined by the given data. We will study this problem in the common situation of having a physical law be described by an ordinary or partial differential equation. For various different classes of differential equations, we provide both necessary and sufficient conditions for a function from a given function class to uniquely determine the differential equation which is governing the phenomenon. We then use our results to devise numerical algorithms to determine whether a function solves a differential equation uniquely. Finally, we provide extensive numerical experiments showing that our algorithms in combination with common approaches for learning physical laws indeed allow to guarantee that a unique governing differential equation is learnt, without assuming any knowledge about the function, thereby ensuring reliability.

Reconstruction of field quantities from sparse measurements is a problem arising in a broad spectrum of applications. This task is particularly challenging when the mapping between sparse measurements and field quantities is performed in an unsupervised manner. Further complexity is added for moving sensors and/or random on-off status. Under such conditions, the most straightforward solution is to interpolate the scattered data onto a regular grid. However, the spatial resolution achieved with this approach is ultimately limited by the mean spacing between the sparse measurements. In this work, we propose a super-resolution generative adversarial network (GAN) framework to estimate field quantities from random sparse sensors without needing any full-field high-resolution training. The algorithm exploits random sampling to provide incomplete views of the {high-resolution} underlying distributions. It is hereby referred to as RAndomly-SEEDed super-resolution GAN (RaSeedGAN). The proposed technique is tested on synthetic databases of fluid flow simulations, ocean surface temperature distributions measurements, and particle image velocimetry data of a zero-pressure-gradient turbulent boundary layer. The results show excellent performance even in cases with high sparsity or with levels of noise. To our knowledge, this is the first GAN algorithm for full-field high-resolution estimation from randomly-seeded fields with no need of full-field high-resolution representations.

We prove identifiability of a broad class of deep latent variable models that (a) have universal approximation capabilities and (b) are the decoders of variational autoencoders that are commonly used in practice. Unlike existing work, our analysis does not require weak supervision, auxiliary information, or conditioning in the latent space. Specifically, we show that for a broad class of generative (i.e. unsupervised) models with universal approximation capabilities, the side information $u$ is not necessary: We prove identifiability of the entire generative model where we do not observe $u$ and only observe the data $x$. The models we consider match autoencoder architectures used in practice that leverage mixture priors in the latent space and ReLU/leaky-ReLU activations in the encoder, such as VaDE and MFC-VAE. Our main result is an identifiability hierarchy that significantly generalizes previous work and exposes how different assumptions lead to different "strengths" of identifiability, and includes certain "vanilla" VAEs with isotropic Gaussian priors as a special case. For example, our weakest result establishes (unsupervised) identifiability up to an affine transformation, and thus partially resolves an open problem regarding model identifiability raised in prior work. These theoretical results are augmented with experiments on both simulated and real data.

Data poisoning considers an adversary that distorts the training set of machine learning algorithms for malicious purposes. In this work, we bring to light one conjecture regarding the fundamentals of data poisoning, which we call the Lethal Dose Conjecture. The conjecture states: If $n$ clean training samples are needed for accurate predictions, then in a size-$N$ training set, only $\Theta(N/n)$ poisoned samples can be tolerated while ensuring accuracy. Theoretically, we verify this conjecture in multiple cases. We also offer a more general perspective of this conjecture through distribution discrimination. Deep Partition Aggregation (DPA) and its extension, Finite Aggregation (FA) are recent approaches for provable defenses against data poisoning, where they predict through the majority vote of many base models trained from different subsets of training set using a given learner. The conjecture implies that both DPA and FA are (asymptotically) optimal -- if we have the most data-efficient learner, they can turn it into one of the most robust defenses against data poisoning. This outlines a practical approach to developing stronger defenses against poisoning via finding data-efficient learners. Empirically, as a proof of concept, we show that by simply using different data augmentations for base learners, we can respectively double and triple the certified robustness of DPA on CIFAR-10 and GTSRB without sacrificing accuracy.

Generalizing machine learning (ML) models for network traffic dynamics tends to be considered a lost cause. Hence for every new task, we design new models and train them on model-specific datasets closely mimicking the deployment environments. Yet, an ML architecture called_Transformer_ has enabled previously unimaginable generalization in other domains. Nowadays, one can download a model pre-trained on massive datasets and only fine-tune it for a specific task and context with comparatively little time and data. These fine-tuned models are now state-of-the-art for many benchmarks. We believe this progress could translate to networking and propose a Network Traffic Transformer (NTT), a transformer adapted to learn network dynamics from packet traces. Our initial results are promising: NTT seems able to generalize to new prediction tasks and environments. This study suggests there is still hope for generalization, though it calls for a lot of future research.

We study a sequential decision problem where the learner faces a sequence of $K$-armed bandit tasks. The task boundaries might be known (the bandit meta-learning setting), or unknown (the non-stationary bandit setting). For a given integer $M\le K$, the learner aims to compete with the best subset of arms of size $M$. We design an algorithm based on a reduction to bandit submodular maximization, and show that, for $T$ rounds comprised of $N$ tasks, in the regime of large number of tasks and small number of optimal arms $M$, its regret in both settings is smaller than the simple baseline of $\tilde{O}(\sqrt{KNT})$ that can be obtained by using standard algorithms designed for non-stationary bandit problems. For the bandit meta-learning problem with fixed task length $\tau$, we show that the regret of the algorithm is bounded as $\tilde{O}(NM\sqrt{M \tau}+N^{2/3}M\tau)$. Under additional assumptions on the identifiability of the optimal arms in each task, we show a bandit meta-learning algorithm with an improved $\tilde{O}(N\sqrt{M \tau}+N^{1/2}\sqrt{M K \tau})$ regret.

Equity is widely held to be fundamental to the ethics of healthcare. In the context of clinical decision-making, it rests on the comparative fidelity of the intelligence -- evidence-based or intuitive -- guiding the management of each individual patient. Though brought to recent attention by the individuating power of contemporary machine learning, such epistemic equity arises in the context of any decision guidance, whether traditional or innovative. Yet no general framework for its quantification, let alone assurance, currently exists. Here we formulate epistemic equity in terms of model fidelity evaluated over learnt multi-dimensional representations of identity crafted to maximise the captured diversity of the population, introducing a comprehensive framework for Representational Ethical Model Calibration. We demonstrate use of the framework on large-scale multimodal data from UK Biobank to derive diverse representations of the population, quantify model performance, and institute responsive remediation. We offer our approach as a principled solution to quantifying and assuring epistemic equity in healthcare, with applications across the research, clinical, and regulatory domains.

Pre-trained large-scale models provide a transferable embedding, and they show promising performance on diverse downstream tasks. However, the analysis of learned embedding has not been explored well, and the transferability for cross-modal tasks can be improved. This paper provides a perspective to understand multi-modal embedding in terms of uniformity and alignment. We newly find that the representation learned by multi-modal learning models such as CLIP has two separated embedding spaces for each heterogeneous dataset with less alignment. Besides, there are unexplored large intermediate areas between the two modalities with less uniformity. As a result, lack of alignment and uniformity might restrict the robustness and transferability of the representation for the downstream task. To this end, we provide a new end-to-end fine-tuning method for robust representation that encourages better uniformity and alignment score. First, we propose a \textit{Geodesic Multi-Modal Mixup} that mixes the representation of image and text to generate the hard negative samples on the hyperspherical embedding space. Second, we fine-tune the multi-modal model on hard negative samples as well as normal negatives and positive samples with contrastive loss. Through extensive experiments on retrieval, classification, and structure-awareness task, we demonstrate that our geodesic multi-modal Mixup learns a robust representation and provides improved performance on various downstream tasks.

In education applications, knowledge tracing refers to the problem of estimating students' time-varying concept/skill mastery level from their past responses to questions and predicting their future performance. One key limitation of most existing knowledge tracing methods is that they treat student responses to questions as binary-valued, i.e., whether they are correct or incorrect. Response correctness analysis/prediction ignores important information on student knowledge contained in the exact content of the responses, especially for open-ended questions. In this paper, we conduct the first exploration into open-ended knowledge tracing (OKT) by studying the new task of predicting students' exact open-ended responses to questions. Our work is grounded in the domain of computer science education with programming questions. We develop an initial solution to the OKT problem, a student knowledge-guided code generation approach, that combines program synthesis methods using language models with student knowledge tracing methods. We also conduct a series of quantitative and qualitative experiments on a real-world student code dataset to validate OKT and demonstrate its promise in educational applications.

Multi-view subspace clustering aims to discover the hidden subspace structures from multiple views for robust clustering, and has been attracting considerable attention in recent years. Despite significant progress, most of the previous multi-view subspace clustering algorithms are still faced with two limitations. First, they usually focus on the consistency (or commonness) of multiple views, yet often lack the ability to capture the cross-view inconsistencies in subspace representations. Second, many of them overlook the local structures of multiple views and cannot jointly leverage multiple local structures to enhance the subspace representation learning. To address these two limitations, in this paper, we propose a jointly smoothed multi-view subspace clustering (JSMC) approach. Specifically, we simultaneously incorporate the cross-view commonness and inconsistencies into the subspace representation learning. The view-consensus grouping effect is presented to jointly exploit the local structures of multiple views to regularize the view-commonness representation, which is further associated with the low-rank constraint via the nuclear norm to strengthen its cluster structure. Thus the cross-view commonness and inconsistencies, the view-consensus grouping effect, and the low-rank representation are seamlessly incorporated into a unified objective function, upon which an alternating optimization algorithm is performed to achieve a robust subspace representation for clustering. Experimental results on a variety of real-world multi-view datasets confirm the superiority of our approach.

The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets often exhibit highly imbalanced distribution, which is overlooked by the current literature but may severely compromise the fairness and generalization of machine learning applications. Motivated by this observation, we introduce ImDrug, a comprehensive benchmark with an open-source Python library which consists of 4 imbalance settings, 11 AI-ready datasets, 54 learning tasks and 16 baseline algorithms tailored for imbalanced learning. It provides an accessible and customizable testbed for problems and solutions spanning a broad spectrum of the drug discovery pipeline such as molecular modeling, drug-target interaction and retrosynthesis. We conduct extensive empirical studies with novel evaluation metrics, to demonstrate that the existing algorithms fall short of solving medicinal and pharmaceutical challenges in the data imbalance scenario. We believe that ImDrug opens up avenues for future research and development, on real-world challenges at the intersection of AIDD and deep imbalanced learning.

The symbolic AI community is increasingly trying to embrace machine learning in neuro-symbolic architectures, yet is still struggling due to cultural barriers. To break the barrier, this rather opinionated personal memo attempts to explain and rectify the conventions in Statistics, Machine Learning, and Deep Learning from the viewpoint of outsiders. It provides a step-by-step protocol for designing a machine learning system that satisfies a minimum theoretical guarantee necessary for being taken seriously by the symbolic AI community, i.e., it discusses "in what condition we can stop worrying and accept statistical machine learning." Some highlights: Most textbooks are written for those who plan to specialize in Stat/ML/DL and are supposed to accept jargons. This memo is for experienced symbolic researchers that hear a lot of buzz but are still uncertain and skeptical. Information on Stat/ML/DL is currently too scattered or too noisy to invest in. This memo prioritizes compactness and pays special attention to concepts that resonate well with symbolic paradigms. I hope this memo offers time savings. It prioritizes general mathematical modeling and does not discuss any specific function approximator, such as neural networks (NNs), SVMs, decision trees, etc. It is open to corrections. Consider this memo as something similar to a blog post taking the form of a paper on Arxiv.

Identifying harmful instances, whose absence in a training dataset improves model performance, is important for building better machine learning models. Although previous studies have succeeded in estimating harmful instances under supervised settings, they cannot be trivially extended to generative adversarial networks (GANs). This is because previous approaches require that (1) the absence of a training instance directly affects the loss value and that (2) the change in the loss directly measures the harmfulness of the instance for the performance of a model. In GAN training, however, neither of the requirements is satisfied. This is because, (1) the generator's loss is not directly affected by the training instances as they are not part of the generator's training steps, and (2) the values of GAN's losses normally do not capture the generative performance of a model. To this end, (1) we propose an influence estimation method that uses the Jacobian of the gradient of the generator's loss with respect to the discriminator's parameters (and vice versa) to trace how the absence of an instance in the discriminator's training affects the generator's parameters, and (2) we propose a novel evaluation scheme, in which we assess harmfulness of each training instance on the basis of how GAN evaluation metric (e.g., inception score) is expect to change due to the removal of the instance. We experimentally verified that our influence estimation method correctly inferred the changes in GAN evaluation metrics. Further, we demonstrated that the removal of the identified harmful instances effectively improved the model's generative performance with respect to various GAN evaluation metrics.

This paper generalizes regularized regression problems in a hyper-reproducing kernel Hilbert space (hyper-RKHS), illustrates its utility for kernel learning and out-of-sample extensions, and proves asymptotic convergence results for the introduced regression models in an approximation theory view. Algorithmically, we consider two regularized regression models with bivariate forms in this space, including kernel ridge regression (KRR) and support vector regression (SVR) endowed with hyper-RKHS, and further combine divide-and-conquer with Nystr\"{o}m approximation for scalability in large sample cases. This framework is general: the underlying kernel is learned from a broad class, and can be positive definite or not, which adapts to various requirements in kernel learning. Theoretically, we study the convergence behavior of regularized regression algorithms in hyper-RKHS and derive the learning rates, which goes beyond the classical analysis on RKHS due to the non-trivial independence of pairwise samples and the characterisation of hyper-RKHS. Experimentally, results on several benchmarks suggest that the employed framework is able to learn a general kernel function form an arbitrary similarity matrix, and thus achieves a satisfactory performance on classification tasks.

Differentiable ARchiTecture Search (DARTS) is one of the most trending Neural Architecture Search (NAS) methods. It drastically reduces search cost by resorting to weight-sharing. However, it also dramatically reduces the search space, thus excluding potential promising architectures. In this article, we propose D-DARTS, a solution that addresses this problem by nesting neural networks at the cell level instead of using weight-sharing to produce more diversified and specialized architectures. Moreover, we introduce a novel algorithm that can derive deeper architectures from a few trained cells, increasing performance and saving computation time. In addition, we also present an alternative search space (DARTOpti) in which we optimize existing handcrafted architectures (e.g., ResNet) rather than starting from scratch. This approach is accompanied by a novel metric that measures the distance between architectures inside our custom search space. Our solution reaches competitive performance on multiple computer vision tasks.

In this paper we propose an unsupervised feature extraction method to capture temporal information on monocular videos, where we detect and encode subject of interest in each frame and leverage contrastive self-supervised (CSS) learning to extract rich latent vectors. Instead of simply treating the latent features of nearby frames as positive pairs and those of temporally-distant ones as negative pairs as in other CSS approaches, we explicitly disentangle each latent vector into a time-variant component and a time-invariant one. We then show that applying contrastive loss only to the time-variant features and encouraging a gradual transition on them between nearby and away frames while also reconstructing the input, extract rich temporal features, well-suited for human pose estimation. Our approach reduces error by about 50% compared to the standard CSS strategies, outperforms other unsupervised single-view methods and matches the performance of multi-view techniques. When 2D pose is available, our approach can extract even richer latent features and improve the 3D pose estimation accuracy, outperforming other state-of-the-art weakly supervised methods.

We present a two-step hybrid reinforcement learning (RL) policy that is designed to generate interpretable and robust hierarchical policies on the RL problem with graph-based input. Unlike prior deep reinforcement learning policies parameterized by an end-to-end black-box graph neural network, our approach disentangles the decision-making process into two steps. The first step is a simplified classification problem that maps the graph input to an action group where all actions share a similar semantic meaning. The second step implements a sophisticated rule-miner that conducts explicit one-hop reasoning over the graph and identifies decisive edges in the graph input without the necessity of heavy domain knowledge. This two-step hybrid policy presents human-friendly interpretations and achieves better performance in terms of generalization and robustness. Extensive experimental studies on four levels of complex text-based games have demonstrated the superiority of the proposed method compared to the state-of-the-art.

We propose Active Surrogate Estimators (ASEs), a new method for label-efficient model evaluation. Evaluating model performance is a challenging and important problem when labels are expensive. ASEs address this active testing problem using a surrogate-based estimation approach that interpolates the errors of points with unknown labels, rather than forming a Monte Carlo estimator. ASEs actively learn the underlying surrogate, and we propose a novel acquisition strategy, XWED, that tailors this learning to the final estimation task. We find that ASEs offer greater label-efficiency than the current state-of-the-art when applied to challenging model evaluation problems for deep neural networks.

Performance of machine learning models may differ between training and deployment for many reasons. For instance, model performance can change between environments due to changes in data quality, observing a different population than the one in training, or changes in the relationship between labels and features. These manifest as changes to the underlying data generating mechanisms, and thereby result in distribution shifts across environments. Attributing performance changes to specific shifts, such as covariate or concept shifts, is critical for identifying sources of model failures, and for taking mitigating actions that ensure robust models. In this work, we introduce the problem of attributing performance differences between environments to shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game and derive an importance weighting method for computing the value of a coalition (or a set) of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on two synthetic datasets and two real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Adversarial robustness has become a central goal in deep learning, both in the theory and the practice. However, successful methods to improve the adversarial robustness (such as adversarial training) greatly hurt generalization performance on the unperturbed data. This could have a major impact on how the adversarial robustness affects real world systems (i.e. many may opt to forego robustness if it can improve accuracy on the unperturbed data). We propose Interpolated Adversarial Training, which employs recently proposed interpolation based training methods in the framework of adversarial training. On CIFAR-10, adversarial training increases the standard test error (when there is no adversary) from 4.43% to 12.32%, whereas with our Interpolated adversarial training we retain the adversarial robustness while achieving a standard test error of only 6.45%. With our technique, the relative increase in the standard error for the robust model is reduced from 178.1% to just 45.5%. Moreover, we provide mathematical analysis of Interpolated Adversarial Training to confirm its efficiencies and demonstrate its advantages in terms of robustness and generalization.

Biometric data is a rich source of information that can be used to identify individuals and infer private information about them. To mitigate this privacy risk, anonymization techniques employ transformations on clear data to obfuscate sensitive information, all while retaining some utility of the data. Albeit published with impressive claims, they sometimes are not evaluated with convincing methodology. We hence are interested to which extent recently suggested anonymization techniques for obfuscating facial images are effective. More specifically, we test how easily they can be automatically reverted, to estimate the privacy they can provide. Our approach is agnostic to the anonymization technique as we learn a machine learning model on the clear and corresponding anonymized data. We find that 10 out of 14 tested face anonymization techniques are at least partially reversible, and six of them are at least highly reversible.

In this paper, we investigate the problem of stochastic multi-level compositional optimization, where the objective function is a composition of multiple smooth but possibly non-convex functions. Existing methods for solving this problem either suffer from sub-optimal sample complexities or need a huge batch size. To address these limitations, we propose a Stochastic Multi-level Variance Reduction method (SMVR), which achieves the optimal sample complexity of $\mathcal{O}\left(1 / \epsilon^{3}\right)$ to find an $\epsilon$-stationary point for non-convex objectives. Furthermore, when the objective function satisfies the convexity or Polyak-{\L}ojasiewicz (PL) condition, we propose a stage-wise variant of SMVR and improve the sample complexity to $\mathcal{O}\left(1 / \epsilon^{2}\right)$ for convex functions or $\mathcal{O}\left(1 /\left(\mu\epsilon\right)\right)$ for non-convex functions satisfying the $\mu$-PL condition. The latter result implies the same complexity for $\mu$-strongly convex functions. To make use of adaptive learning rates, we also develop Adaptive SMVR, which achieves the same complexities but converges faster in practice. All our complexities match the lower bounds not only in terms of $\epsilon$ but also in terms of $\mu$ (for PL or strongly convex functions), without using a large batch size in each iteration.

Textual adversarial samples play important roles in multiple subfields of NLP research, including security, evaluation, explainability, and data augmentation. However, most work mixes all these roles, obscuring the problem definitions and research goals of the security role that aims to reveal the practical concerns of NLP models. In this paper, we rethink the research paradigm of textual adversarial samples in security scenarios. We discuss the deficiencies in previous work and propose our suggestions that the research on the Security-oriented adversarial NLP (SoadNLP) should: (1) evaluate their methods on security tasks to demonstrate the real-world concerns; (2) consider real-world attackers' goals, instead of developing impractical methods. To this end, we first collect, process, and release a security datasets collection Advbench. Then, we reformalize the task and adjust the emphasis on different goals in SoadNLP. Next, we propose a simple method based on heuristic rules that can easily fulfill the actual adversarial goals to simulate real-world attack methods. We conduct experiments on both the attack and the defense sides on Advbench. Experimental results show that our method has higher practical value, indicating that the research paradigm in SoadNLP may start from our new benchmark. All the code and data of Advbench can be obtained at \url{https://github.com/thunlp/Advbench}.

We investigate training machine learning (ML) models across a set of geo-distributed, resource-constrained clusters of devices through unmanned aerial vehicles (UAV) swarms. The presence of time-varying data heterogeneity and computational resource inadequacy among device clusters motivate four key parts of our methodology: (i) stratified UAV swarms of leader, worker, and coordinator UAVs, (ii) hierarchical nested personalized federated learning (HN-PFL), a distributed ML framework for personalized model training across the worker-leader-core network hierarchy, (iii) cooperative UAV resource pooling to address computational inadequacy of devices by conducting model training among the UAV swarms, and (iv) model/concept drift to model time-varying data distributions. In doing so, we consider both micro (i.e., UAV-level) and macro (i.e., swarm-level) system design. At the micro-level, we propose network-aware HN-PFL, where we distributively orchestrate UAVs inside swarms to optimize energy consumption and ML model performance with performance guarantees. At the macro-level, we focus on swarm trajectory and learning duration design, which we formulate as a sequential decision making problem tackled via deep reinforcement learning. Our simulations demonstrate the improvements achieved by our methodology in terms of ML performance, network resource savings, and swarm trajectory efficiency.

Recent research suggests that predictions made by machine-learning models can amplify biases present in the training data. When a model amplifies bias, it makes certain predictions at a higher rate for some groups than expected based on training-data statistics. Mitigating such bias amplification requires a deep understanding of the mechanics in modern machine learning that give rise to that amplification. We perform the first systematic, controlled study into when and how bias amplification occurs. To enable this study, we design a simple image-classification problem in which we can tightly control (synthetic) biases. Our study of this problem reveals that the strength of bias amplification is correlated to measures such as model accuracy, model capacity, model overconfidence, and amount of training data. We also find that bias amplification can vary greatly during training. Finally, we find that bias amplification may depend on the difficulty of the classification task relative to the difficulty of recognizing group membership: bias amplification appears to occur primarily when it is easier to recognize group membership than class membership. Our results suggest best practices for training machine-learning models that we hope will help pave the way for the development of better mitigation strategies. Code can be found at https://github.com/facebookresearch/cv_bias_amplification.

Anomaly detection seeks to identify unusual phenomena, a central task in science and industry. The task is inherently unsupervised as anomalies are unexpected and unknown during training. Recent advances in self-supervised representation learning have directly driven improvements in anomaly detection. In this position paper, we first explain how self-supervised representations can be easily used to achieve state-of-the-art performance in commonly reported anomaly detection benchmarks. We then argue that tackling the next generation of anomaly detection tasks requires new technical and conceptual improvements in representation learning.

Knowledge distillation (KD) is a general neural network training approach that uses a teacher to guide a student. Existing works mainly study KD from the network output side (e.g., trying to design a better KD loss function), while few have attempted to understand it from the input side. Especially, its interplay with data augmentation (DA) has not been well understood. In this paper, we ask: Why do some DA schemes (e.g., CutMix) inherently perform much better than others in KD? What makes a "good" DA in KD? Our investigation from a statistical perspective suggests that a good DA scheme should reduce the variance of the teacher's mean probability, which will eventually lead to a lower generalization gap for the student. Besides the theoretical understanding, we also introduce a new entropy-based data-mixing DA scheme to enhance CutMix. Extensive empirical studies support our claims and demonstrate how we can harvest considerable performance gains simply by using a better DA scheme in knowledge distillation.

The training of graph neural networks (GNNs) is extremely time consuming because sparse graph-based operations are hard to be accelerated by hardware. Prior art explores trading off the computational precision to reduce the time complexity via sampling-based approximation. Based on the idea, previous works successfully accelerate the dense matrix based operations (e.g., convolution and linear) with negligible accuracy drop. However, unlike dense matrices, sparse matrices are stored in the irregular data format such that each row/column may have different number of non-zero entries. Thus, compared to the dense counterpart, approximating sparse operations has two unique challenges (1) we cannot directly control the efficiency of approximated sparse operation since the computation is only executed on non-zero entries; (2) sub-sampling sparse matrices is much more inefficient due to the irregular data format. To address the issues, our key idea is to control the accuracy-efficiency trade off by optimizing computation resource allocation layer-wisely and epoch-wisely. Specifically, for the first challenge, we customize the computation resource to different sparse operations, while limit the total used resource below a certain budget. For the second challenge, we cache previous sampled sparse matrices to reduce the epoch-wise sampling overhead. Finally, we propose a switching mechanisms to improve the generalization of GNNs trained with approximated operations. To this end, we propose Randomized Sparse Computation, which for the first time demonstrate the potential of training GNNs with approximated operations. In practice, rsc can achieve up to $11.6\times$ speedup for a single sparse operation and a $1.6\times$ end-to-end wall-clock time speedup with negligible accuracy drop.

While reinforcement learning produces very promising results for many applications, its main disadvantage is the lack of safety guarantees, which prevents its use in safety-critical systems. In this work, we address this issue by a safety shield for nonlinear continuous systems that solve reach-avoid tasks. Our safety shield prevents applying potentially unsafe actions from a reinforcement learning agent by projecting the proposed action to the closest safe action. This approach is called action projection and is implemented via mixed-integer optimization. The safety constraints for action projection are obtained by applying parameterized reachability analysis using polynomial zonotopes, which enables to accurately capture the nonlinear effects of the actions on the system. In contrast to other state of the art approaches for action projection, our safety shield can efficiently handle input constraints and dynamic obstacles, eases incorporation of the spatial robot dimensions into the safety constraints, guarantees robust safety despite process noise and measurement errors, and is well suited for high-dimensional systems, as we demonstrate on several challenging benchmark systems.

Understanding which student support strategies mitigate dropout and improve student retention is an important part of modern higher educational research. One of the largest challenges institutions of higher learning currently face is the scalability of student support. Part of this is due to the shortage of staff addressing the needs of students, and the subsequent referral pathways associated to provide timeous student support strategies. This is further complicated by the difficulty of these referrals, especially as students are often faced with a combination of administrative, academic, social, and socio-economic challenges. A possible solution to this problem can be a combination of student outcome predictions and applying algorithmic recommender systems within the context of higher education. While much effort and detail has gone into the expansion of explaining algorithmic decision making in this context, there is still a need to develop data collection strategies Therefore, the purpose of this paper is to outline a data collection framework specific to recommender systems within this context in order to reduce collection biases, understand student characteristics, and find an ideal way to infer optimal influences on the student journey. If confirmation biases, challenges in data sparsity and the type of information to collect from students are not addressed, it will have detrimental effects on attempts to assess and evaluate the effects of these systems within higher education.

Data augmentation has proven its usefulness to improve model generalization and performance. While it is commonly applied in computer vision application when it comes to multi-view systems, it is rarely used. Indeed geometric data augmentation can break the alignment among views. This is problematic since multi-view data tend to be scarce and it is expensive to annotate. In this work we propose to solve this issue by introducing a new multi-view data augmentation pipeline that preserves alignment among views. Additionally to traditional augmentation of the input image we also propose a second level of augmentation applied directly at the scene level. When combined with our simple multi-view detection model, our two-level augmentation pipeline outperforms all existing baselines by a significant margin on the two main multi-view multi-person detection datasets WILDTRACK and MultiviewX.

We introduce a simple modification to the standard maximum likelihood estimation (MLE) framework. Rather than maximizing a single unconditional likelihood of the data under the model, we maximize a family of \textit{noise conditional} likelihoods consisting of the data perturbed by a continuum of noise levels. We find that models trained this way are more robust to noise, obtain higher test likelihoods, and generate higher quality images. They can also be sampled from via a novel score-based sampling scheme which combats the classical \textit{covariate shift} problem that occurs during sample generation in autoregressive models. Applying this augmentation to autoregressive image models, we obtain 3.32 bits per dimension on the ImageNet 64x64 dataset, and substantially improve the quality of generated samples in terms of the Frechet Inception distance (FID) -- from 37.50 to 12.09 on the CIFAR-10 dataset.

There introduce Particle Optimized Gradient Descent (POGD), an algorithm based on the gradient descent but integrates the particle swarm optimization (PSO) principle to achieve the iteration. From the experiments, this algorithm has adaptive learning ability. The experiments in this paper mainly focus on the training speed to reach the target value and the ability to prevent the local minimum. The experiments in this paper are achieved by the convolutional neural network (CNN) image classification on the MNIST and cifar-10 datasets.

Protecting privacy in learning while maintaining the model performance has become increasingly critical in many applications that involve sensitive data. Private Gradient Descent (PGD) is a commonly used private learning framework, which noises gradients based on the Differential Privacy protocol. Recent studies show that \emph{dynamic privacy schedules} of decreasing noise magnitudes can improve loss at the final iteration, and yet theoretical understandings of the effectiveness of such schedules and their connections to optimization algorithms remain limited. In this paper, we provide comprehensive analysis of noise influence in dynamic privacy schedules to answer these critical questions. We first present a dynamic noise schedule minimizing the utility upper bound of PGD, and show how the noise influence from each optimization step collectively impacts utility of the final model. Our study also reveals how impacts from dynamic noise influence change when momentum is used. We empirically show the connection exists for general non-convex losses, and the influence is greatly impacted by the loss curvature.

We propose a method for computing binary orthogonal non-negative matrix factorization (BONMF) for clustering and classification. The method is tested on several representative real-world data sets. The numerical results confirm that the method has improved accuracy compared to the related techniques. The proposed method is fast for training and classification and space efficient.

Though learning has become a core component of modern information processing, there is now ample evidence that it can lead to biased, unsafe, and prejudiced systems. The need to impose requirements on learning is therefore paramount, especially as it reaches critical applications in social, industrial, and medical domains. However, the non-convexity of most modern statistical problems is only exacerbated by the introduction of constraints. Whereas good unconstrained solutions can often be learned using empirical risk minimization, even obtaining a model that satisfies statistical constraints can be challenging. All the more so, a good one. In this paper, we overcome this issue by learning in the empirical dual domain, where constrained statistical learning problems become unconstrained and deterministic. We analyze the generalization properties of this approach by bounding the empirical duality gap -- i.e., the difference between our approximate, tractable solution and the solution of the original (non-convex) statistical problem -- and provide a practical constrained learning algorithm. These results establish a constrained counterpart to classical learning theory, enabling the explicit use of constraints in learning. We illustrate this theory and algorithm in rate-constrained learning applications arising in fairness and adversarial robustness.

Given a user's input text, text-matching recommender systems output relevant items by comparing the input text to available items' description, such as product-to-product recommendation on e-commerce platforms. As users' interests and item inventory are expected to change, it is important for a text-matching system to generalize to data shifts, a task known as out-of-distribution (OOD) generalization. However, we find that the popular approach of fine-tuning a large, base language model on paired item relevance data (e.g., user clicks) can be counter-productive for OOD generalization. For a product recommendation task, fine-tuning obtains worse accuracy than the base model when recommending items in a new category or for a future time period. To explain this generalization failure, we consider an intervention-based importance metric, which shows that a fine-tuned model captures spurious correlations and fails to learn the causal features that determine the relevance between any two text inputs. Moreover, standard methods for causal regularization do not apply in this setting, because unlike in images, there exist no universally spurious features in a text-matching task (the same token may be spurious or causal depending on the text it is being matched to). For OOD generalization on text inputs, therefore, we highlight a different goal: avoiding high importance scores for certain features. We do so using an intervention-based regularizer that constraints the causal effect of any token on the model's relevance score to be similar to the base model. Results on Amazon product and 3 question recommendation datasets show that our proposed regularizer improves generalization for both in-distribution and OOD evaluation, especially in difficult scenarios when the base model is not accurate.

We introduce Interpolation Consistency Training (ICT), a simple and computation efficient algorithm for training Deep Neural Networks in the semi-supervised learning paradigm. ICT encourages the prediction at an interpolation of unlabeled points to be consistent with the interpolation of the predictions at those points. In classification problems, ICT moves the decision boundary to low-density regions of the data distribution. Our experiments show that ICT achieves state-of-the-art performance when applied to standard neural network architectures on the CIFAR-10 and SVHN benchmark datasets. Our theoretical analysis shows that ICT corresponds to a certain type of data-adaptive regularization with unlabeled points which reduces overfitting to labeled points under high confidence values.

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph features such as Laplacian Eigenmaps. In our paper, we introduce a GNN architecture where the aggregation weights are computed using the long-range correlations of a quantum system. These correlations are generated by translating the graph topology into the interactions of a set of qubits in a quantum computer. This work was inspired by the recent development of quantum processing units which enables the computation of a new family of global graph features that would be otherwise out of reach for classical hardware. We give some theoretical insights about the potential benefits of this approach, and benchmark our algorithm on standard datasets. Although not being adapted to all datasets, our model performs similarly to standard GNN architectures, and paves a promising future for quantum enhanced GNNs.

Physics-informed neural networks (PINNs) have been proposed to solve two main classes of problems: data-driven solutions and data-driven discovery of partial differential equations. This task becomes prohibitive when such data is highly corrupted due to the possible sensor mechanism failing. We propose the Least Absolute Deviation based PINN (LAD-PINN) to reconstruct the solution and recover unknown parameters in PDEs - even if spurious data or outliers corrupt a large percentage of the observations. To further improve the accuracy of recovering hidden physics, the two-stage Median Absolute Deviation based PINN (MAD-PINN) is proposed, where LAD-PINN is employed as an outlier detector followed by MAD screening out the highly corrupted data. Then the vanilla PINN or its variants can be subsequently applied to exploit the remaining normal data. Through several examples, including Poisson's equation, wave equation, and steady or unsteady Navier-Stokes equations, we illustrate the generalizability, accuracy and efficiency of the proposed algorithms for recovering governing equations from noisy and highly corrupted measurement data.

We propose a method for generating simulated contextual bandit environments for personalization tasks from recommendation datasets like MovieLens, Netflix, Last.fm, Million Song, etc. This allows for personalization environments to be developed based on real-life data to reflect the nuanced nature of real-world user interactions. The obtained environments can be used to develop methods for solving personalization tasks, algorithm benchmarking, model simulation, and more. We demonstrate our approach with numerical examples on MovieLens and IMDb datasets.

Digital human recommendation system has been developed to help customers to find their favorite products and is playing an active role in various recommendation contexts. How to catch and learn the preferences of the customers at the right time and meet the exact requirements of the customer become crucial in the digital human recommendation. We design a novel practical digital human interactive recommendation agent framework based on reinforcement learning to improve the efficiency of interactive recommendation decision-making by leveraging both the digital human features and the superiority of reinforcement learning. The proposed framework learns through immediate interactions among the digital human and customers dynamically through stat-of-art reinforcement learning algorithms and embedding with multimodal and graph embedding to improve the accuracy of the personalization and thus enable the digital human agent to actively catch the attention of a customer timely. Experiments on real business data show that this framework can provide better-personalized customer engagement and better customer experiences etc.

Subgraph similarity search, one of the core problems in graph search, concerns whether a target graph approximately contains a query graph. The problem is recently touched by neural methods. However, current neural methods do not consider pruning the target graph, though pruning is critically important in traditional calculations of subgraph similarities. One obstacle to applying pruning in neural methods is {the discrete property of pruning}. In this work, we convert graph pruning to a problem of node relabeling and then relax it to a differentiable problem. Based on this idea, we further design a novel neural network to approximate a type of subgraph distance: the subgraph edit distance (SED). {In particular, we construct the pruning component using a neural structure, and the entire model can be optimized end-to-end.} In the design of the model, we propose an attention mechanism to leverage the information about the query graph and guide the pruning of the target graph. Moreover, we develop a multi-head pruning strategy such that the model can better explore multiple ways of pruning the target graph. The proposed model establishes new state-of-the-art results across seven benchmark datasets. Extensive analysis of the model indicates that the proposed model can reasonably prune the target graph for SED computation. The implementation of our algorithm is released at our Github repo: https://github.com/tufts-ml/Prune4SED.

This article presents a new design for autonomous artificial intelligence (AI), based on the state-of-the-art algorithms, and describes a new autonomous AI system called AutoAI. The methodology is used to assemble the design founded on self-improved algorithms that use new and emerging sources of data (NEFD). The objective of the article is to conceptualise the design of a novel AutoAI algorithm. The conceptual approach is used to advance into building new and improved algorithms. The article integrates and consolidates the findings from existing literature and advances the AutoAI design into (1) using new and emerging sources of data for teaching and training AI algorithms and (2) enabling AI algorithms to use automated tools for training new and improved algorithms. This approach is going beyond the state-of-the-art in AI algorithms and suggests a design that enables autonomous algorithms to self-optimise and self-adapt, and on a higher level, be capable to self-procreate.

Context-aware recommendation systems improve upon classical recommender systems by including, in the modelling, a user's behaviour. Research into context-aware recommendation systems has previously only considered the sequential ordering of items as contextual information. However, there is a wealth of unexploited additional multi-modal information available in auxiliary knowledge related to items. This study extends the existing research by evaluating a multi-modal recommendation system that exploits the inclusion of comprehensive auxiliary knowledge related to an item. The empirical results explore extracting vector representations (embeddings) from unstructured and structured data using data2vec. The fused embeddings are then used to train several state-of-the-art transformer architectures for sequential user-item representations. The analysis of the experimental results shows a statistically significant improvement in prediction accuracy, which confirms the effectiveness of including auxiliary information in a context-aware recommendation system. We report a 4% and 11% increase in the NDCG score for long and short user sequence datasets, respectively.

Contextual bandits are a modern staple tool for active sequential experimentation in the tech industry. They involve online learning algorithms that adaptively (over time) learn policies to map observed contexts $X_t$ to actions $A_t$ in an attempt to maximize stochastic rewards $R_t$. This adaptivity raises interesting but hard statistical inference questions, especially counterfactual ones: for example, it is often of interest to estimate the properties of a hypothetical policy that is different from the logging policy that was used to collect the data -- a problem known as "off-policy evaluation" (OPE). Using modern martingale techniques, we present a comprehensive framework for OPE inference that relax many unnecessary assumptions made in past work, significantly improving on them theoretically and empirically. Our methods remain valid in very general settings, and can be employed while the original experiment is still running (that is, not necessarily post-hoc), when the logging policy may be itself changing (due to learning), and even if the context distributions are drifting over time. More concretely, we derive confidence sequences for various functionals of interest in OPE. These include doubly robust ones for time-varying off-policy mean reward values, but also confidence bands for the entire CDF of the off-policy reward distribution. All of our methods (a) are valid at arbitrary stopping times (b) only make nonparametric assumptions, and (c) do not require known bounds on the maximal importance weights, and (d) adapt to the empirical variance of the reward and weight distributions. In summary, our methods enable anytime-valid off-policy inference using adaptively collected contextual bandit data.

The classic studies of causal emergence have revealed that in some Markovian dynamical systems, far stronger causal connections can be found on the higher-level descriptions than the lower-level of the same systems if we coarse-grain the system states in an appropriate way. However, identifying this emergent causality from the data is still a hard problem that has not been solved because the correct coarse-graining strategy can not be found easily. This paper proposes a general machine learning framework called Neural Information Squeezer to automatically extract the effective coarse-graining strategy and the macro-state dynamics, as well as identify causal emergence directly from the time series data. By decomposing a coarse-graining operation into two processes: information conversion and information dropping out, we can not only exactly control the width of the information channel, but also can derive some important properties analytically including the exact expression of the effective information of a macro-dynamics. We also show how our framework can extract the dynamics on different levels and identify causal emergence from the data on several exampled systems.

Spectral Barron spaces have received considerable interest recently as it is the natural function space for approximation theory of two-layer neural networks with a dimension-free convergence rate. In this paper we study the regularity of solutions to the whole-space static Schr\"odinger equation in spectral Barron spaces. We prove that if the source of the equation lies in the spectral Barron space $\mathcal{B}^s(\mathbb{R}^d)$ and the potential function admitting a non-negative lower bound decomposes as a positive constant plus a function in $\mathcal{B}^s(\mathbb{R}^d)$, then the solution lies in the spectral Barron space $\mathcal{B}^{s+2}(\mathbb{R}^d)$.

A fundamental challenge for machine learning models is generalizing to out-of-distribution (OOD) data, in part due to spurious correlations. To tackle this challenge, we first formalize the OOD generalization problem as constrained optimization, called Disentanglement-constrained Domain Generalization (DDG). We relax this non-trivial constrained optimization problem to a tractable form with finite-dimensional parameterization and empirical approximation. Then a theoretical analysis of the extent to which the above transformations deviates from the original problem is provided. Based on the transformation, we propose a primal-dual algorithm for joint representation disentanglement and domain generalization. In contrast to traditional approaches based on domain adversarial training and domain labels, DDG jointly learns semantic and variation encoders for disentanglement, enabling flexible manipulation and augmentation on training data. DDG aims to learn intrinsic representations of semantic concepts that are invariant to nuisance factors and generalizable across domains. Comprehensive experiments on popular benchmarks show that DDG can achieve competitive OOD performance and uncover interpretable salient structures within data.

Traffic forecasting models rely on data that needs to be sensed, processed, and stored. This requires the deployment and maintenance of traffic sensing infrastructure, often leading to unaffordable monetary costs. The lack of sensed locations can be complemented with synthetic data simulations that further lower the economical investment needed for traffic monitoring. One of the most common data generative approaches consists of producing real-like traffic patterns, according to data distributions from analogous roads. The process of detecting roads with similar traffic is the key point of these systems. However, without collecting data at the target location no flow metrics can be employed for this similarity-based search. We present a method to discover locations among those with available traffic data by inspecting topological features. These features are extracted from domain-specific knowledge as numerical representations (embeddings) to compare different locations and eventually find roads with analogous daily traffic profiles based on the similarity between embeddings. The performance of this novel selection system is examined and compared to simpler traffic estimation approaches. After finding a similar source of data, a generative method is used to synthesize traffic profiles. Depending on the resemblance of the traffic behavior at the sensed road, the generation method can be fed with data from one road only. Several generation approaches are analyzed in terms of the precision of the synthesized samples. Above all, this work intends to stimulate further research efforts towards enhancing the quality of synthetic traffic samples and thereby, reducing the need for sensing infrastructure.

Algorithmic reasoning requires capabilities which are most naturally understood through recurrent models of computation, like the Turing machine. However, Transformer models, while lacking recurrence, are able to perform such reasoning using far fewer layers than the number of reasoning steps. This raises the question: what solutions are these shallow and non-recurrent models finding? We investigate this question in the setting of learning automata, discrete dynamical systems naturally suited to recurrent modeling and expressing algorithmic tasks. Our theoretical results completely characterize shortcut solutions, whereby a shallow Transformer with only $o(T)$ layers can exactly replicate the computation of an automaton on an input sequence of length $T$. By representing automata using the algebraic structure of their underlying transformation semigroups, we obtain $O(\log T)$-depth simulators for all automata and $O(1)$-depth simulators for all automata whose associated groups are solvable. Empirically, we perform synthetic experiments by training Transformers to simulate a wide variety of automata, and show that shortcut solutions can be learned via standard training. We further investigate the brittleness of these solutions and propose potential mitigations.

Computing the matrix square root and its inverse in a differentiable manner is important in a variety of computer vision tasks. Previous methods either adopt the Singular Value Decomposition (SVD) to explicitly factorize the matrix or use the Newton-Schulz iteration (NS iteration) to derive the approximate solution. However, both methods are not computationally efficient enough in either the forward pass or the backward pass. In this paper, we propose two more efficient variants to compute the differentiable matrix square root and the inverse square root. For the forward propagation, one method is to use Matrix Taylor Polynomial (MTP), and the other method is to use Matrix Pad\'e Approximants (MPA). The backward gradient is computed by iteratively solving the continuous-time Lyapunov equation using the matrix sign function. A series of numerical tests show that both methods yield considerable speed-up compared with the SVD or the NS iteration. Moreover, we validate the effectiveness of our methods in several real-world applications, including de-correlated batch normalization, second-order vision transformer, global covariance pooling for large-scale and fine-grained recognition, attentive covariance pooling for video recognition, and neural style transfer. The experimental results demonstrate that our methods can also achieve competitive and even slightly better performances. The Pytorch implementation is available at https://github.com/KingJamesSong/FastDifferentiableMatSqrt

We consider stochastic optimization problems where data is drawn from a Markov chain. Existing methods for this setting crucially rely on knowing the mixing time of the chain, which in real-world applications is usually unknown. We propose the first optimization method that does not require the knowledge of the mixing time, yet obtains the optimal asymptotic convergence rate when applied to convex problems. We further show that our approach can be extended to: (i) finding stationary points in non-convex optimization with Markovian data, and (ii) obtaining better dependence on the mixing time in temporal difference (TD) learning; in both cases, our method is completely oblivious to the mixing time. Our method relies on a novel combination of multi-level Monte Carlo (MLMC) gradient estimation together with an adaptive learning method.

We propose to extend the concept of private information retrieval by allowing for distortion in the retrieval process and relaxing the perfect privacy requirement at the same time. In particular, we study the trade-off between download rate, distortion, and user privacy leakage, and show that in the limit of large file sizes this trade-off can be captured via a novel information-theoretical formulation for datasets with a known distribution. Moreover, for scenarios where the statistics of the dataset is unknown, we propose a new deep learning framework by leveraging a generative adversarial network approach, which allows the user to learn efficient schemes from the data itself. We evaluate the performance of the scheme on a synthetic Gaussian dataset as well as on the MNIST, CIFAR-10, and LSUN datasets. For the MNIST, CIFAR-10, and LSUN datasets, the data-driven approach significantly outperforms a nonlearning-based scheme which combines source coding with the download of multiple files.

Empirical works show that for ReLU neural networks (NNs) with small initialization, input weights of hidden neurons (the input weight of a hidden neuron consists of the weight from its input layer to the hidden neuron and its bias term) condense on isolated orientations. The condensation dynamics implies that the training implicitly regularizes a NN towards one with a much smaller effective size. In this work, we illustrate the formation of the condensation in multi-layer fully connected NNs and show that the maximal number of condensed orientations in the initial training stage is twice the multiplicity of the activation function, where "multiplicity" indicates the multiple roots of activation function at origin. Our theoretical analysis confirms experiments for two cases, one is for the activation function of multiplicity one with arbitrary dimension input, which contains many common activation functions, and the other is for the layer with one-dimensional input and arbitrary multiplicity. This work makes a step towards understanding how small initialization leads NNs to condensation at the initial training stage.

Reinforcement Learning (RL) algorithms can solve challenging control problems directly from image observations, but they often require millions of environment interactions to do so. Recently, model-based RL algorithms have greatly improved sample-efficiency by concurrently learning an internal model of the world, and supplementing real environment interactions with imagined rollouts for policy improvement. However, learning an effective model of the world from scratch is challenging, and in stark contrast to humans that rely heavily on world understanding and visual cues for learning new skills. In this work, we investigate whether internal models learned by modern model-based RL algorithms can be leveraged to solve new, distinctly different tasks faster. We propose Model-Based Cross-Task Transfer (XTRA), a framework for sample-efficient online RL with scalable pretraining and finetuning of learned world models. By offline multi-task pretraining and online cross-task finetuning, we achieve substantial improvements on the Atari100k benchmark over a baseline trained from scratch; we improve mean performance of model-based algorithm EfficientZero by 23%, and by as much as 71% in some instances. Project page: https://nicklashansen.github.io/xtra.

We propose a computational approach for recipe ideation, a downstream task that helps users select and gather ingredients for creating dishes. To perform this task, we developed RecipeMind, a food affinity score prediction model that quantifies the suitability of adding an ingredient to set of other ingredients. We constructed a large-scale dataset containing ingredient co-occurrence based scores to train and evaluate RecipeMind on food affinity score prediction. Deployed in recipe ideation, RecipeMind helps the user expand an initial set of ingredients by suggesting additional ingredients. Experiments and qualitative analysis show RecipeMind's potential in fulfilling its assistive role in cuisine domain.

In light of the smoothness property brought by skip connections in ResNet, this paper proposed the Skip Logit to introduce the skip connection mechanism that fits arbitrary DNN dimensions and embraces similar properties to ResNet. Meta Tanh Normalization (MTN) is designed to learn variance information and stabilize the training process. With these delicate designs, our Skip Meta Logit (SML) brought incremental boosts to the performance of extensive SOTA ctr prediction models on two real-world datasets. In the meantime, we prove that the optimization landscape of arbitrarily deep skip logit networks has no spurious local optima. Finally, SML can be easily added to building blocks and has delivered offline accuracy and online business metrics gains on app ads learning to rank systems at TikTok.

The assessment of left atrial appendage (LAA) thrombogenesis has experienced major advances with the adoption of patient-specific computational fluid dynamics (CFD) simulations. Nonetheless, due to the vast computational resources and long execution times required by fluid dynamics solvers, there is an ever-growing body of work aiming to develop surrogate models of fluid flow simulations based on neural networks. The present study builds on this foundation by developing a deep learning (DL) framework capable of predicting the endothelial cell activation potential (ECAP), linked to the risk of thrombosis, solely from the patient-specific LAA geometry. To this end, we leveraged recent advancements in Geometric DL, which seamlessly extend the unparalleled potential of convolutional neural networks (CNN), to non-Euclidean data such as meshes. The model was trained with a dataset combining 202 synthetic and 54 real LAA, predicting the ECAP distributions instantaneously, with an average mean absolute error of 0.563. Moreover, the resulting framework manages to predict the anatomical features related to higher ECAP values even when trained exclusively on synthetic cases.

We introduce OpenEarthMap, a benchmark dataset, for global high-resolution land cover mapping. OpenEarthMap consists of 2.2 million segments of 5000 aerial and satellite images covering 97 regions from 44 countries across 6 continents, with manually annotated 8-class land cover labels at a 0.25--0.5m ground sampling distance. Semantic segmentation models trained on the OpenEarthMap generalize worldwide and can be used as off-the-shelf models in a variety of applications. We evaluate the performance of state-of-the-art methods for unsupervised domain adaptation and present challenging problem settings suitable for further technical development. We also investigate lightweight models using automated neural architecture search for limited computational resources and fast mapping. The dataset is available at https://open-earth-map.org.

Embedded topic models are able to learn interpretable topics even with large and heavy-tailed vocabularies. However, they generally hold the Euclidean embedding space assumption, leading to a basic limitation in capturing hierarchical relations. To this end, we present a novel framework that introduces hyperbolic embeddings to represent words and topics. With the tree-likeness property of hyperbolic space, the underlying semantic hierarchy among words and topics can be better exploited to mine more interpretable topics. Furthermore, due to the superiority of hyperbolic geometry in representing hierarchical data, tree-structure knowledge can also be naturally injected to guide the learning of a topic hierarchy. Therefore, we further develop a regularization term based on the idea of contrastive learning to inject prior structural knowledge efficiently. Experiments on both topic taxonomy discovery and document representation demonstrate that the proposed framework achieves improved performance against existing embedded topic models.

Click-Through Rate prediction (CTR) is a crucial task in recommender systems, and it gained considerable attention in the past few years. The primary purpose of recent research emphasizes obtaining meaningful and powerful representations through mining low and high feature interactions using various components such as Deep Neural Networks (DNN), CrossNets, or transformer blocks. In this work, we propose the Deep Multi-Representation model (DeepMR) that jointly trains a mixture of two powerful feature representation learning components, namely DNNs and multi-head self-attentions. Furthermore, DeepMR integrates the novel residual with zero initialization (ReZero) connections to the DNN and the multi-head self-attention components for learning superior input representations. Experiments on three real-world datasets show that the proposed model significantly outperforms all state-of-the-art models in the task of click-through rate prediction.

Observational studies have recently received significant attention from the machine learning community due to the increasingly available non-experimental observational data and the limitations of the experimental studies, such as considerable cost, impracticality, small and less representative sample sizes, etc. In observational studies, de-confounding is a fundamental problem of individualised treatment effects (ITE) estimation. This paper proposes disentangled representations with adversarial training to selectively balance the confounders in the binary treatment setting for the ITE estimation. The adversarial training of treatment policy selectively encourages treatment-agnostic balanced representations for the confounders and helps to estimate the ITE in the observational studies via counterfactual inference. Empirical results on synthetic and real-world datasets, with varying degrees of confounding, prove that our proposed approach improves the state-of-the-art methods in achieving lower error in the ITE estimation.

Aging civil infrastructures are closely monitored by engineers for damage and critical defects. As the manual inspection of such large structures is costly and time-consuming, we are working towards fully automating the visual inspections to support the prioritization of maintenance activities. To that end we combine recent advances in drone technology and deep learning. Unfortunately, annotation costs are incredibly high as our proprietary civil engineering dataset must be annotated by highly trained engineers. Active learning is, therefore, a valuable tool to optimize the trade-off between model performance and annotation costs. Our use-case differs from the classical active learning setting as our dataset suffers from heavy class imbalance and consists of a much larger already labeled data pool than other active learning research. We present a novel method capable of operating in this challenging setting by replacing the traditional active learning acquisition function with an auxiliary binary discriminator. We experimentally show that our novel method outperforms the best-performing traditional active learning method (BALD) by 5% and 38% accuracy on CIFAR-10 and our proprietary dataset respectively.

In reinforcement learning from human feedback, it is common to optimize against a reward model trained to predict human preferences. Because the reward model is an imperfect proxy, optimizing its value too much can hinder ground truth performance, in accordance with Goodhart's law. This effect has been frequently observed, but not carefully measured due to the expense of collecting human preference data. In this work, we use a synthetic setup in which a fixed "gold-standard" reward model plays the role of humans, providing labels used to train a proxy reward model. We study how the gold reward model score changes as we optimize against the proxy reward model using either reinforcement learning or best-of-$n$ sampling. We find that this relationship follows a different functional form depending on the method of optimization, and that in both cases its coefficients scale smoothly with the number of reward model parameters. We also study the effect on this relationship of the size of the reward model dataset, the number of reward model and policy parameters, and the coefficient of the KL penalty added to the reward in the reinforcement learning setup. We explore the implications of these empirical results for theoretical considerations in AI alignment.

We aim for source-free domain adaptation, where the task is to deploy a model pre-trained on source domains to target domains. The challenges stem from the distribution shift from the source to the target domain, coupled with the unavailability of any source data and labeled target data for optimization. Rather than fine-tuning the model by updating the parameters, we propose to perturb the source model to achieve adaptation to target domains. We introduce perturbations into the model parameters by variational Bayesian inference in a probabilistic framework. By doing so, we can effectively adapt the model to the target domain while largely preserving the discriminative ability. Importantly, we demonstrate the theoretical connection to learning Bayesian neural networks, which proves the generalizability of the perturbed model to target domains. To enable more efficient optimization, we further employ a parameter sharing strategy, which substantially reduces the learnable parameters compared to a fully Bayesian neural network. Our model perturbation provides a new probabilistic way for domain adaptation which enables efficient adaptation to target domains while maximally preserving knowledge in source models. Experiments on several source-free benchmarks under three different evaluation settings verify the effectiveness of the proposed variational model perturbation for source-free domain adaptation.

Interferometry can measure the shape or the material density of a system that could not be measured otherwise by recording the difference between the phase change of a signal and a reference phase. This difference is always between $-\pi$ and $\pi$ while it is the absolute phase that is required to get a true measurement. There is a long history of methods designed to recover accurately this phase from the phase "wrapped" inside $]-\pi,\pi]$. However, noise and under-sampling limit the effectiveness of most techniques and require highly sophisticated algorithms that can process imperfect measurements. Ultimately, analysing successfully an interferogram amounts to pattern recognition, a task where radial basis function neural networks truly excel at. The proposed neural network is designed to unwrap the phase from two-dimensional interferograms, where aliasing, stemming from under-resolved regions, and noise levels are significant. The neural network can be trained in parallel and in three stages, using gradient-based supervised learning. Parallelism allows to handle relatively large data sets, but requires a supplemental step to synchronized the fully unwrapped phase across the different networks.

Social media platforms are currently the main channel for political messaging, allowing politicians to target specific demographics and adapt based on their reactions. However, making this communication transparent is challenging, as the messaging is tightly coupled with its intended audience and often echoed by multiple stakeholders interested in advancing specific policies. Our goal in this paper is to take a first step towards understanding these highly decentralized settings. We propose a weakly supervised approach to identify the stance and issue of political ads on Facebook and analyze how political campaigns use some kind of demographic targeting by location, gender, or age. Furthermore, we analyze the temporal dynamics of the political ads on election polls.

In recent years there has been growing attention to interpretable machine learning models which can give explanatory insights on their behavior. Thanks to their interpretability, decision trees have been intensively studied for classification tasks, and due to the remarkable advances in mixed-integer programming (MIP), various approaches have been proposed to formulate the problem of training an Optimal Classification Tree (OCT) as a MIP model. We present a novel mixed-integer quadratic formulation for the OCT problem, which exploits the generalization capabilities of Support Vector Machines for binary classification. Our model, denoted as Margin Optimal Classification Tree (MARGOT), encompasses the use of maximum margin multivariate hyperplanes nested in a binary tree structure. To enhance the interpretability of our approach, we analyse two alternative versions of MARGOT, which include feature selection constraints inducing local sparsity of the hyperplanes. First, MARGOT has been tested on non-linearly separable synthetic datasets in 2-dimensional feature space to provide a graphical representation of the maximum margin approach. Finally, the proposed models have been tested on benchmark datasets from the UCI repository. The MARGOT formulation turns out to be easier to solve than other OCT approaches, and the generated tree better generalizes on new observations. The two interpretable versions are effective in selecting the most relevant features and maintaining good prediction quality.

A long-term goal of reinforcement learning is to design agents that can autonomously interact and learn in the world. A critical challenge to such autonomy is the presence of irreversible states which require external assistance to recover from, such as when a robot arm has pushed an object off of a table. While standard agents require constant monitoring to decide when to intervene, we aim to design proactive agents that can request human intervention only when needed. To this end, we propose an algorithm that efficiently learns to detect and avoid states that are irreversible, and proactively asks for help in case the agent does enter them. On a suite of continuous control environments with unknown irreversible states, we find that our algorithm exhibits better sample- and intervention-efficiency compared to existing methods. Our code is publicly available at https://sites.google.com/view/proactive-interventions

Recently, unsupervised adversarial training (AT) has been extensively studied to attain robustness with the models trained upon unlabeled data. To this end, previous studies have applied existing supervised adversarial training techniques to self-supervised learning (SSL) frameworks. However, all have resorted to untargeted adversarial learning as obtaining targeted adversarial examples is unclear in the SSL setting lacking of label information. In this paper, we propose a novel targeted adversarial training method for the SSL frameworks. Specifically, we propose a target selection algorithm for the adversarial SSL frameworks; it is designed to select the most confusing sample for each given instance based on similarity and entropy, and perturb the given instance toward the selected target sample. Our method significantly enhances the robustness of an SSL model without requiring large batches of images or additional models, unlike existing works aimed at achieving the same goal. Moreover, our method is readily applicable to general SSL frameworks that only uses positive pairs. We validate our method on benchmark datasets, on which it obtains superior robust accuracies, outperforming existing unsupervised adversarial training methods.

Demonstration-based learning has shown great potential in stimulating pretrained language models' ability under limited data scenario. Simply augmenting the input with some demonstrations can significantly improve performance on few-shot NER. However, why such demonstrations are beneficial for the learning process remains unclear since there is no explicit alignment between the demonstrations and the predictions. In this paper, we design pathological demonstrations by gradually removing intuitively useful information from the standard ones to take a deep dive of the robustness of demonstration-based sequence labeling and show that (1) demonstrations composed of random tokens still make the model a better few-shot learner; (2) the length of random demonstrations and the relevance of random tokens are the main factors affecting the performance; (3) demonstrations increase the confidence of model predictions on captured superficial patterns. We have publicly released our code at https://github.com/SALT-NLP/RobustDemo.

The Hessian of a differentiable convex function is positive semidefinite. Therefore, checking the Hessian of a given function is a natural approach to certify convexity. However, implementing this approach is not straightforward since it requires a representation of the Hessian that allows its analysis. Here, we implement this approach for a class of functions that is rich enough to support classical machine learning. For this class of functions, it was recently shown how to compute computational graphs of their Hessians. We show how to check these graphs for positive semidefiniteness. We compare our implementation of the Hessian approach with the well-established disciplined convex programming (DCP) approach and prove that the Hessian approach is at least as powerful as the DCP approach for differentiable functions. Furthermore, we show for a state-of-the-art implementation of the DCP approach that, for differentiable functions, the Hessian approach is actually more powerful. That is, it can certify the convexity of a larger class of differentiable functions.

De-noising plays a crucial role in the post-processing of spectra. Machine learning-based methods show good performance in extracting intrinsic information from noisy data, but often require a high-quality training set that is typically inaccessible in real experimental measurements. Here, using spectra in angle-resolved photoemission spectroscopy (ARPES) as an example, we develop a de-noising method for extracting intrinsic spectral information without the need for a training set. This is possible as our method leverages the self-correlation information of the spectra themselves. It preserves the intrinsic energy band features and thus facilitates further analysis and processing. Moreover, since our method is not limited by specific properties of the training set compared to previous ones, it may well be extended to other fields and application scenarios where obtaining high-quality multidimensional training data is challenging.

This article studies deep neural network expression rates for optimal stopping problems of discrete-time Markov processes on high-dimensional state spaces. A general framework is established in which the value function and continuation value of an optimal stopping problem can be approximated with error at most $\varepsilon$ by a deep ReLU neural network of size at most $\kappa d^{\mathfrak{q}} \varepsilon^{-\mathfrak{r}}$. The constants $\kappa,\mathfrak{q},\mathfrak{r} \geq 0$ do not depend on the dimension $d$ of the state space or the approximation accuracy $\varepsilon$. This proves that deep neural networks do not suffer from the curse of dimensionality when employed to solve optimal stopping problems. The framework covers, for example, exponential L\'evy models, discrete diffusion processes and their running minima and maxima. These results mathematically justify the use of deep neural networks for numerically solving optimal stopping problems and pricing American options in high dimensions.

Because of their abundance of amino acids, polysaccharides, and many other nutrients that benefit human beings, mushrooms are deservedly popular as dietary cuisine both worldwide and in China. However, if people eat poisonous fungi by mistake, they may suffer from nausea, vomiting, mental disorder, acute anemia, or even death. Each year in China, there are around 8000 people became sick, and 70 died as a result of eating toxic mushrooms by mistake. It is counted that there are thousands of kinds of mushrooms among which only around 900 types are edible, thus without specialized knowledge, the probability of eating toxic mushrooms by mistake is very high. Most people deem that the only characteristic of poisonous mushrooms is a bright colour, however, some kinds of them do not correspond to this trait. In order to prevent people from eating these poisonous mushrooms, we propose to use deep learning methods to indicate whether a mushroom is toxic through analyzing hundreds of edible and toxic mushrooms smartphone pictures. We crowdsource a mushroom image dataset that contains 250 images of poisonous mushrooms and 200 images of edible mushrooms. The Convolutional Neural Network (CNN) is a specialized type of artificial neural networks that use a mathematical operation called convolution in place of general matrix multiplication in at least one of their layers, which can generate a relatively precise result by analyzing a huge amount of images, and thus is very suitable for our research. The experimental results demonstrate that the proposed model has high credibility and can provide a decision-making basis for the selection of edible fungi, so as to reduce the morbidity and mortality caused by eating poisonous mushrooms. We also open source our hand collected mushroom image dataset so that peer researchers can also deploy their own model to advance poisonous mushroom identification.

While Mixed-integer linear programming (MILP) is NP-hard in general, practical MILP has received roughly 100--fold speedup in the past twenty years. Still, many classes of MILPs quickly become unsolvable as their sizes increase, motivating researchers to seek new acceleration techniques for MILPs. With deep learning, they have obtained strong empirical results, and many results were obtained by applying graph neural networks (GNNs) to making decisions in various stages of MILP solution processes. This work discovers a fundamental limitation: there exist feasible and infeasible MILPs that all GNNs will, however, treat equally, indicating GNN's lacking power to express general MILPs. Then, we show that, by restricting the MILPs to unfoldable ones or by adding random features, there exist GNNs that can reliably predict MILP feasibility, optimal objective values, and optimal solutions up to prescribed precision. We conducted small-scale numerical experiments to validate our theoretical findings.

Pre-trained language models (LMs), such as BERT (Devlin et al., 2018) and its variants, have led to significant improvements on various NLP tasks in past years. However, a theoretical framework for studying their relationships is still missing. In this paper, we fill this gap by investigating the linear dependency between pre-trained LMs. The linear dependency of LMs is defined analogously to the linear dependency of vectors. We propose Language Model Decomposition (LMD) to represent a LM using a linear combination of other LMs as basis, and derive the closed-form solution. A goodness-of-fit metric for LMD similar to the coefficient of determination is defined and used to measure the linear dependency of a set of LMs. In experiments, we find that BERT and eleven (11) BERT-like LMs are 91% linearly dependent. This observation suggests that current state-of-the-art (SOTA) LMs are highly "correlated". To further advance SOTA we need more diverse and novel LMs that are less dependent on existing LMs.

Symbolic music generation aims to generate music scores automatically. A recent trend is to use Transformer or its variants in music generation, which is, however, suboptimal, because the full attention cannot efficiently model the typically long music sequences (e.g., over 10,000 tokens), and the existing models have shortcomings in generating musical repetition structures. In this paper, we propose Museformer, a Transformer with a novel fine- and coarse-grained attention for music generation. Specifically, with the fine-grained attention, a token of a specific bar directly attends to all the tokens of the bars that are most relevant to music structures (e.g., the previous 1st, 2nd, 4th and 8th bars, selected via similarity statistics); with the coarse-grained attention, a token only attends to the summarization of the other bars rather than each token of them so as to reduce the computational cost. The advantages are two-fold. First, it can capture both music structure-related correlations via the fine-grained attention, and other contextual information via the coarse-grained attention. Second, it is efficient and can model over 3X longer music sequences compared to its full-attention counterpart. Both objective and subjective experimental results demonstrate its ability to generate long music sequences with high quality and better structures.

Node embedding is a central topic in graph representation learning. Computational efficiency and scalability can be challenging to any method that requires full-graph operations. We propose sampling approaches to node embedding, with or without explicit modelling of the feature vector, which aim to extract useful information from both the eigenvectors related to the graph Laplacien and the given values associated with the graph.

In order to address real-world problems, deep learning models are jointly trained on many classes. However, in the future, some classes may become restricted due to privacy/ethical concerns, and the restricted class knowledge has to be removed from the models that have been trained on them. The available data may also be limited due to privacy/ethical concerns, and re-training the model will not be possible. We propose a novel approach to address this problem without affecting the model's prediction power for the remaining classes. Our approach identifies the model parameters that are highly relevant to the restricted classes and removes the knowledge regarding the restricted classes from them using the limited available training data. Our approach is significantly faster and performs similar to the model re-trained on the complete data of the remaining classes.

Deep Learning has proliferated dramatically across consumer devices in less than a decade, but has been largely powered through the hardware acceleration within isolated devices. Nonetheless, clear signals exist that the next decade of consumer intelligence will require levels of resources, a mixing of modalities and a collaboration of devices that will demand a significant pivot beyond hardware alone. To accomplish this, we believe a new Edge-AI paradigm will be necessary for this transition to be possible in a sustainable manner, without trespassing user-privacy or hurting quality of experience.

Observations made in continuous time are often irregular and contain the missing values across different channels. One approach to handle the missing data is imputing it using splines, by fitting the piecewise polynomials to the observed values. We propose using the splines as an input to a neural network, in particular, applying the transformations on the interpolating function directly, instead of sampling the points on a grid. To do that, we design the layers that can operate on splines and which are analogous to their discrete counterparts. This allows us to represent the irregular sequence compactly and use this representation in the downstream tasks such as classification and forecasting. Our model offers competitive performance compared to the existing methods both in terms of the accuracy and computation efficiency.

A backdoor or Trojan attack is an important type of data poisoning attack against deep neural network (DNN) classifiers, wherein the training dataset is poisoned with a small number of samples that each possess the backdoor pattern (usually a pattern that is either imperceptible or innocuous) and which are mislabeled to the attacker's target class. When trained on a backdoor-poisoned dataset, a DNN behaves normally on most benign test samples but makes incorrect predictions to the target class when the test sample has the backdoor pattern incorporated (i.e., contains a backdoor trigger). Here we focus on image classification tasks and show that supervised training may build stronger association between the backdoor pattern and the associated target class than that between normal features and the true class of origin. By contrast, self-supervised representation learning ignores the labels of samples and learns a feature embedding based on images' semantic content. %We thus propose to use unsupervised representation learning to avoid emphasising backdoor-poisoned training samples and learn a similar feature embedding for samples of the same class. Using a feature embedding found by self-supervised representation learning, a data cleansing method, which combines sample filtering and re-labeling, is developed. Experiments on CIFAR-10 benchmark datasets show that our method achieves state-of-the-art performance in mitigating backdoor attacks.

Implicit feedback plays a huge role in recommender systems, but its high noise characteristic seriously reduces its effect. To denoise implicit feedback, some efforts have been devoted to graph data augmentation (GDA) methods. Although the bi-level optimization thought of GDA guarantees better recommendation performance theoretically, it also leads to expensive time costs and severe space explosion problems. Specifically, bi-level optimization involves repeated traversal of all positive and negative instances after each optimization of the recommendation model. In this paper, we propose a new denoising paradigm, i.e., Quick Graph Conversion (QGrace), to effectively transform the original interaction graph into a purified (for positive instances) and densified (for negative instances) interest graph during the recommendation model training process. In QGrace, we leverage the gradient matching scheme based on elaborated generative models to fulfill the conversion and generation of an interest graph, elegantly overcoming the high time and space cost problems. To enable recommendation models to run on interest graphs that lack implicit feedback data, we provide a fine-grained objective function from the perspective of alignment and uniformity. The experimental results on three benchmark datasets demonstrate that the QGrace outperforms the state-of-the-art GDA methods and recommendation models in effectiveness and robustness.

Colonoscopy is the most common procedure for early detection and removal of polyps, a critical component of colorectal cancer prevention. Insufficient visual coverage of the colon surface during the procedure often results in missed polyps. To mitigate this issue, reconstructing the 3D surfaces of the colon in order to visualize the missing regions has been proposed. However, robustly estimating the local and global coverage from such a reconstruction has not been thoroughly investigated until now. In this work, we present a new method to estimate the coverage from a reconstructed colon pointcloud. Our method splits a reconstructed colon into segments and estimates the coverage of each segment by estimating the area of the missing surfaces. We achieve a mean absolute coverage error of 3-6\% on colon segments generated from synthetic colonoscopy data and real colonography CT scans. In addition, we show good qualitative results on colon segments reconstructed from real colonoscopy videos.

Both in terrestrial and extraterrestrial environments, the precise and informative model of the ground and the surface ahead is crucial for navigation and obstacle avoidance. The ground surface is not always flat and it may be sloped, bumpy and rough specially in off-road terrestrial scenes. In bumpy and rough scenes the functional relationship of the surface-related features may vary in different areas of the ground, as the structure of the ground surface may vary suddenly and further the measured point cloud of the ground does not bear smoothness. Thus, the ground-related features must be obtained based on local estimates or even point estimates. To tackle this problem, the segment-wise GP-based ground segmentation method with local smoothness estimation is proposed. This method is an extension to our previous method in which a realistic measurement of the length-scale values were provided for the covariance kernel in each line-segment to give precise estimation of the ground for sloped terrains. In this extension, the value of the length-scale is estimated locally for each data point which makes it much more precise for the rough scenes while being not computationally complex and more robust to under-segmentation, sparsity and under-represent-ability. The segment-wise task is performed to estimate a partial continuous model of the ground for each radial range segment. Simulation results show the effectiveness of the proposed method to give a continuous and precise estimation of the ground surface in rough and bumpy scenes while being fast enough for real-world applications.

We study reserve price optimization in multi-phase second price auctions, where seller's prior actions affect the bidders' later valuations through a Markov Decision Process (MDP). Compared to the bandit setting in existing works, the setting in ours involves three challenges. First, from the seller's perspective, we need to efficiently explore the environment in the presence of potentially nontruthful bidders who aim to manipulates seller's policy. Second, we want to minimize the seller's revenue regret when the market noise distribution is unknown. Third, the seller's per-step revenue is unknown, nonlinear, and cannot even be directly observed from the environment. We propose a mechanism addressing all three challenges. To address the first challenge, we use a combination of a new technique named "buffer periods" and inspirations from Reinforcement Learning (RL) with low switching cost to limit bidders' surplus from untruthful bidding, thereby incentivizing approximately truthful bidding. The second one is tackled by a novel algorithm that removes the need for pure exploration when the market noise distribution is unknown. The third challenge is resolved by an extension of LSVI-UCB, where we use the auction's underlying structure to control the uncertainty of the revenue function. The three techniques culminate in the $\underline{\rm C}$ontextual-$\underline{\rm L}$SVI-$\underline{\rm U}$CB-$\underline{\rm B}$uffer (CLUB) algorithm which achieves $\tilde{ \mathcal{O}}(H^{5/2}\sqrt{K})$ revenue regret when the market noise is known and $\tilde{ \mathcal{O}}(H^{3}\sqrt{K})$ revenue regret when the noise is unknown with no assumptions on bidders' truthfulness.

Sensory neuroprostheses are emerging as a promising technology to restore lost sensory function or augment human capabilities. However, sensations elicited by current devices often appear artificial and distorted. Although current models can predict the neural or perceptual response to an electrical stimulus, an optimal stimulation strategy solves the inverse problem: what is the required stimulus to produce a desired response? Here, we frame this as an end-to-end optimization problem, where a deep neural network stimulus encoder is trained to invert a known and fixed forward model that approximates the underlying biological system. As a proof of concept, we demonstrate the effectiveness of this Hybrid Neural Autoencoder (HNA) in visual neuroprostheses. We find that HNA produces high-fidelity patient-specific stimuli representing handwritten digits and segmented images of everyday objects, and significantly outperforms conventional encoding strategies across all simulated patients. Overall this is an important step towards the long-standing challenge of restoring high-quality vision to people living with incurable blindness and may prove a promising solution for a variety of neuroprosthetic technologies.

As interest in graph data has grown in recent years, the computation of various geometric tools has become essential. In some area such as mesh processing, they often rely on the computation of geodesics and shortest paths in discretized manifolds. A recent example of such a tool is the computation of Wasserstein barycenters (WB), a very general notion of barycenters derived from the theory of Optimal Transport, and their entropic-regularized variant. In this paper, we examine how WBs on discretized meshes relate to the geometry of the underlying manifold. We first provide a generic stability result with respect to the input cost matrices. We then apply this result to random geometric graphs on manifolds, whose shortest paths converge to geodesics, hence proving the consistency of WBs computed on discretized shapes.

Sharpness-aware minimization (SAM) aims to improve the generalisation of gradient-based learning by seeking out flat minima. In this work, we establish connections between SAM and Mean-Field Variational Inference (MFVI) of neural network parameters. We show that both these methods have interpretations as optimizing notions of flatness, and when using the reparametrisation trick, they both boil down to calculating the gradient at a perturbed version of the current mean parameter. This thinking motivates our study of algorithms that combine or interpolate between SAM and MFVI. We evaluate the proposed variational algorithms on several benchmark datasets, and compare their performance to variants of SAM. Taking a broader perspective, our work suggests that SAM-like updates can be used as a drop-in replacement for the reparametrisation trick.

Modern day applications, especially information retrieval webapps that involve "search" as their use cases are gradually moving towards "answering" modules. Conversational chatbots which have been proved to be more engaging to users, use Question Answering as their core. Since, precise answering is computationally expensive, several approaches have been developed to prefetch the most relevant documents/passages from the database that contain the answer. We propose a different approach that retrieves the evidence documents efficiently and accurately, making sure that the relevant document for a given user query is not missed. We do so by assigning each document (or passage in our case), a unique identifier and using them to create dense vectors which can be efficiently indexed. More precisely, we use the identifier to predict randomly sampled context window words of the relevant question corresponding to the passage along with the words of passage itself. This naturally embeds the passage identifier into the vector space in such a way that the embedding is closer to the question without compromising he information content. This approach enables efficient creation of real-time query vectors in ~4 milliseconds.

Speech synthesis for poetry is challenging due to specific intonation patterns inherent to poetic speech. In this work, we propose an approach to synthesise poems with almost human like naturalness in order to enable literary scholars to systematically examine hypotheses on the interplay between text, spoken realisation, and the listener's perception of poems. To meet these special requirements for literary studies, we resynthesise poems by cloning prosodic values from a human reference recitation, and afterwards make use of fine-grained prosody control to manipulate the synthetic speech in a human-in-the-loop setting to alter the recitation w.r.t. specific phenomena. We find that finetuning our TTS model on poetry captures poetic intonation patterns to a large extent which is beneficial for prosody cloning and manipulation and verify the success of our approach both in an objective evaluation as well as in human studies.

Generalized Additive Models (GAMs) have quickly become the leading choice for inherently-interpretable machine learning. However, unlike uninterpretable methods such as DNNs, they lack expressive power and easy scalability, and are hence not a feasible alternative for real-world tasks. We present a new class of GAMs that use tensor rank decompositions of polynomials to learn powerful, {\em inherently-interpretable} models. Our approach, titled Scalable Polynomial Additive Models (SPAM) is effortlessly scalable and models {\em all} higher-order feature interactions without a combinatorial parameter explosion. SPAM outperforms all current interpretable approaches, and matches DNN/XGBoost performance on a series of real-world benchmarks with up to hundreds of thousands of features. We demonstrate by human subject evaluations that SPAMs are demonstrably more interpretable in practice, and are hence an effortless replacement for DNNs for creating interpretable and high-performance systems suitable for large-scale machine learning. Source code is available at https://github.com/facebookresearch/nbm-spam.

Ensuring fairness of prediction-based decision making is based on statistical group fairness criteria. Which one of these criteria is the morally most appropriate one depends on the context, and its choice requires an ethical analysis. In this paper, we present a step-by-step procedure integrating three elements: (a) a framework for the moral assessment of what fairness means in a given context, based on the recently proposed general principle of "Fair equality of chances" (FEC) (b) a mapping of the assessment's results to established statistical group fairness criteria, and (c) a method for integrating the thus-defined fairness into optimal decision making. As a second contribution, we show new applications of the FEC principle and show that, with this extension, the FEC framework covers all types of group fairness criteria: independence, separation, and sufficiency. Third, we introduce an extended version of the FEC principle, which additionally allows accounting for morally irrelevant elements of the fairness assessment and links to well-known relaxations of the fairness criteria. This paper presents a framework to develop fair decision systems in a conceptually sound way, combining the moral and the computational elements of fair prediction-based decision-making in an integrated approach. Data and code to reproduce our results are available at https://github.com/joebaumann/fair-prediction-based-decision-making.

Continual Learning (CL) methods mainly focus on avoiding catastrophic forgetting and learning representations that are transferable to new tasks. Recently, Wortsman et al. (2020) proposed a CL method, SupSup, which uses a randomly initialized, fixed base network (model) and finds a supermask for each new task that selectively keeps or removes each weight to produce a subnetwork. They prevent forgetting as the network weights are not being updated. Although there is no forgetting, the performance of the supermask is sub-optimal because fixed weights restrict its representational power. Furthermore, there is no accumulation or transfer of knowledge inside the model when new tasks are learned. Hence, we propose ExSSNeT (Exclusive Supermask SubNEtwork Training), which performs exclusive and non-overlapping subnetwork weight training. This avoids conflicting updates to the shared weights by subsequent tasks to improve performance while still preventing forgetting. Furthermore, we propose a novel KNN-based Knowledge Transfer (KKT) module that dynamically initializes a new task's mask based on previous tasks for improving knowledge transfer. We demonstrate that ExSSNeT outperforms SupSup and other strong previous methods on both text classification and vision tasks while preventing forgetting. Moreover, ExSSNeT is particularly advantageous for sparse masks that activate 2-10% of the model parameters, resulting in an average improvement of 8.3% over SupSup. Additionally, ExSSNeT scales to a large number of tasks (100), and our KKT module helps to learn new tasks faster while improving overall performance. Our code is available at https://github.com/prateeky2806/exessnet

Two interlocking research questions of growing interest and importance in privacy research are Authorship Attribution (AA) and Authorship Obfuscation (AO). Given an artifact, especially a text t in question, an AA solution aims to accurately attribute t to its true author out of many candidate authors while an AO solution aims to modify t to hide its true authorship. Traditionally, the notion of authorship and its accompanying privacy concern is only toward human authors. However, in recent years, due to the explosive advancements in Neural Text Generation (NTG) techniques in NLP, capable of synthesizing human-quality open-ended texts (so-called "neural texts"), one has to now consider authorships by humans, machines, or their combination. Due to the implications and potential threats of neural texts when used maliciously, it has become critical to understand the limitations of traditional AA/AO solutions and develop novel AA/AO solutions in dealing with neural texts. In this survey, therefore, we make a comprehensive review of recent literature on the attribution and obfuscation of neural text authorship from a Data Mining perspective, and share our view on their limitations and promising research directions.

Predicting the quality of multimedia content is often needed in different fields. In some applications, quality metrics are crucial with a high impact, and can affect decision making such as diagnosis from medical multimedia. In this paper, we focus on such applications by proposing an efficient and shallow model for predicting the quality of medical images without reference from a small amount of annotated data. Our model is based on convolution self-attention that aims to model complex representation from relevant local characteristics of images, which itself slide over the image to interpolate the global quality score. We also apply domain adaptation learning in unsupervised and semi-supervised manner. The proposed model is evaluated through a dataset composed of several images and their corresponding subjective scores. The obtained results showed the efficiency of the proposed method, but also, the relevance of the applying domain adaptation to generalize over different multimedia domains regarding the downstream task of perceptual quality prediction. \footnote{Funded by the TIC-ART project, Regional fund (Region Centre-Val de Loire)}

Image quality is important, and it can affect overall performance in image processing and computer vision as well as for numerous other reasons. Image quality assessment (IQA) is consequently a vital task in different applications from aerial photography interpretation to object detection to medical image analysis. In previous research, the BRISQUE algorithm and the PSNR algorithm were evaluated with high resolution ( 512*384 pixels per image), but relatively small image sets (4,744 images). However, scientists have not evaluated IQA algorithms on low resolution (32*32 pixels per image), multi-perturbation, big image sets (for example, 60,000 different images not counting their perturbations). This study explores these two IQA algorithms through experimental investigation. We first chose two deep learning image sets, CIFAR-10 and MNIST. Then, we added 68 perturbations that add noise to the images in specific sequences and noise intensities. In addition, we tracked the performance outputs of the two IQA algorithms with singly and multiply noised images. After quantitatively analyzing experimental results, we report the limitations of the two IQAs with these noised CIFAR-10 and MNIST image sets. We also explain three potential root causes for performance degradation. These findings point out weaknesses of the two IQA algorithms. The research results provide guidance to scientists and engineers developing accurate, robust IQA algorithms. In addition to supporting future scientific research and industrial projects, all source codes are shared on the website: https://github.com/caperock/imagequality

Generalization in Reinforcement Learning (RL) aims to learn an agent during training that generalizes to the target environment. This paper studies RL generalization from a theoretical aspect: how much can we expect pre-training over training environments to be helpful? When the interaction with the target environment is not allowed, we certify that the best we can obtain is a near-optimal policy in an average sense, and we design an algorithm that achieves this goal. Furthermore, when the agent is allowed to interact with the target environment, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, in the non-asymptotic regime, we design an efficient algorithm and prove a distribution-based regret bound in the target environment that is independent of the state-action space.